Frontage Laboratories, Inc.

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Profile: Frontage Laboratories, Inc. deals with formulation development, API manufacturing, clinical trial materials manufacturing and analytical services. We also provide bioanalytical services. Our products include (2s)-1-(2-pyridinylamino)-2-propanol, 1,4-benzodioxane-5-carboxylic acid, 1-methyl-1h-pyrrole-2-carbonnitrile, 1-n-boc-2-cyano-piperidine, 1-n-boc-2-cyano-pyrrolidine, 1-n-boc-3-cyano-piperidine, 1-n-boc-3-cyano-pyrrolidine, 1-n-boc-3-piperidone and 2,3-dimethoxy-1,4-benzoquinone.

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• Benzofuran-2-carbonyl chloride

IUPAC Name: 1-benzofuran-2-carbonyl chloride | CAS Registry Number: 41717-28-6
Synonyms: Coumariloyl chloride, Coumarilic acid chloride, 2-BENZOFURANCARBONYL CHLORIDE, NSC 162303, BRN 0124676, NSC162303, SBB007360, ZINC01627448, LS-34907, 4-18-00-04248 (Beilstein Handbook Reference)

Molecular Formula:	C₉H₅ClO₂	Molecular Weight:	180.587800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZJDRDTZQVOCKPI-UHFFFAOYSA-N

• Cyclohexanecarboximidamide, 4-(aminomethyl)-

IUPAC Name: 4-(aminomethyl)piperidine-1-carboximidamide;dihydrochloride | CAS Registry Number: 162696-05-1
Synonyms: 4-(Aminomethyl)piperidineinformamidine dihydrochloride, 4-(aminomethyl)piperidineinformamidinedihydrochloride, 4-(aminomethyl)piperidine-1-carboximidamide Dihydrochloride, 155542-32-8, 4-(aminomethyl)piperidineformamidine dihydrochloride, 4-(AMINOMETHYL)PIPERIDINEINFORMAMIDINE 2HCL, c-(4-aminomethyl-piperidin-1-yl)-methanediamine, dihydrochloride, 4-(Aminomethyl)piperidineformamidine, AC1MBTQ3, SureCN5089336, CTK8E9564, AKOS015911219, AB12849, AC-6573, 4-(aminomethyl)piperidineformamidinedihydrochloride, 4-(aminomethyl)-piperidineinformamidine dihydrochloride, I14-39264, 4-(aminomethyl) piperidine informamidine, dihydrochloride, 4-(aminomethyl)piperidine-1-carboxamidine dihydrochloride

Molecular Formula:	C₇H₁₈Cl₂N₄	Molecular Weight:	229.150620 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	2

InChIKey: SCYHILJFOFBJDF-UHFFFAOYSA-N

• Cyclopent-3-enecarboxylic acid

IUPAC Name: cyclopent-3-ene-1-carboxylate | CAS Registry Number: 7686-77-3
Synonyms: ZINC00396187, CID6950855

Molecular Formula:	C₆H₇O₂-	Molecular Weight:	111.118580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XVSYDLITVYBCBD-UHFFFAOYSA-M

• Dimethyl 1,10-Decanedicarboxylate

IUPAC Name: dimethyl dodecanedioate | CAS Registry Number: 1731-79-9
Synonyms: Dimethyl dodecanedioate, DODECANEDIOIC ACID, DIMETHYL ESTER, Dodecanedioic acid dimethyl ester, Dimethyl 1,10-decanedicarboxylate, EINECS 217-050-6, NSC118878, SBB007707, ZINC04255613, FR-0151

Molecular Formula:	C₁₄H₂₆O₄	Molecular Weight:	258.353840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: IZMOTZDBVPMOFE-UHFFFAOYSA-N

• Dimethyl 3-methylglutarate

IUPAC Name: dimethyl 3-methylpentanedioate | CAS Registry Number: 19013-37-7
Synonyms: Dimethyl 3-methylpentanedioate, Dimethyl3-Methylglutarate, 3-methyl-pentanedioic acid dimethyl ester, Glutaric acid, 3-methyl-, dimethyl ester, Pentanedioic acid, 3-methyl-, dimethyl ester, ZINC02545401, AC1LASQK, ACMC-1C3GG, 375233_ALDRICH, CTK4E0308, MolPort-002-498-070, ANW-63015, AKOS015899845, AC-6517, AK-96066, KB-76608, FT-0625032, FT-0625111, Pentanedioic acid,3-methyl-, 1,5-dimethyl ester, I14-11861

Molecular Formula:	C₈H₁₄O₄	Molecular Weight:	174.194360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: YIJLMTNDXYVGPQ-UHFFFAOYSA-N

• Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1-carboxylate

IUPAC Name: ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate | CAS Registry Number: 122135-83-5
Synonyms: NSC698179, Ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohenxene-1-carboxylate, ethyl 2-{[(trifluoromethyl)sulfonyl]oxy}cyclohex-1-ene-1-carboxylate, 2-trifluoromethanesulfonyloxy-cyclohex-1-enecarboxylic acid ethyl ester, AC1L98MF, CTK8D1962, AC1Q6467, ACT07855, AR-1I8235, AKOS015911220, AC-6510, NSC-698179, Ethyl 2-(trifluoromethylsulfonyloxy)-1-, NCI60_035125, KB-201201, I14-39266, ethyl 2-(trifluoromethyl sulfonyloxy) cyclohexene-1-carboxylate, ethyl 2-(trifluoromethylsulfonyloxy)cyclohex-1-enecarboxylate, ethyl 2-(trifluoromethylsulfonyloxy)cyclohexene-1-carboxylate, ethyl 2-(trifluoromethyl sulfonyloxy)-1-cyclohexene-1-carboxylate

Molecular Formula:	C₁₀H₁₃F₃O₅S	Molecular Weight:	302.267430 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: VWIUHGUFSGOXDX-UHFFFAOYSA-N

• Ethyl 2-(trifluoromethyl sulfonyloxy)benzoate

IUPAC Name: ethyl 2-(trifluoromethylsulfonyloxy)benzoate | CAS Registry Number: 179538-97-7
Synonyms: Ethyl 2-(trifluoromethylsulfonyloxy)benzoate, Ethyl 2-(trifluoromethyl sulfonyloxy) benzoate, Ethyl2-(trifluoromethylsulfonyloxy)benzoate, 2-Trifluoromethanesulfonyloxy-benzoic acid ethyl ester, AC1MBZ9S, AKOS015911255, AC-6511, I14-39271

Molecular Formula:	C₁₀H₉F₃O₅S	Molecular Weight:	298.235670 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	8

InChIKey: VDPKUXGAEQOPME-UHFFFAOYSA-N

• Ethyl 2-amino-4-methylthiazole-5-carboxylate

IUPAC Name: ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 7210-76-6
Synonyms: Maybridge1_006207, Oprea1_412981, Oprea1_686518, CBDivE_011946, 646016_ALDRICH, ZERO/001976, AIDS019677, AIDS-019677, ALBB-000267, NSC400231, ZINC00035844, 2-Amino-4-methyl-5-carbethoxythiazole, 2-Amino-4-methyl-5-(ethoxycarbonyl)thiazole, EU-0004739, TL80073557, 5-Thiazolecarboxylic acid, 2-amino-4-methyl-, ethyl ester, Ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate, SR-01000431778-2, 2-Amino-4-methyl-5-thiazolecarboxylic acid, ethyl ester

Molecular Formula:	C₇H₁₀N₂O₂S	Molecular Weight:	186.231500 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: WZHUPCREDVWLKC-UHFFFAOYSA-N

• H-Asn-OMe HCl

IUPAC Name: methyl (2S)-2,4-diamino-4-oxobutanoate hydrochloride | CAS Registry Number: 57461-34-4
Synonyms: Methyl L-asparaginate monohydrochloride, EINECS 260-748-0, CID6453494

Molecular Formula:	C₅H₁₁ClN₂O₃	Molecular Weight:	182.605440 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: QOMQXHIJXUDQSS-DFWYDOINSA-N

• Monomethyl 3-Methylglutarate

IUPAC Name: 5-methoxy-3-methyl-5-oxopentanoic acid | CAS Registry Number: 27151-65-1
Synonyms: NSC249823, CID317555, 3-METHYLPENTANEDIOIC ACID, MONOMETHYL ESTER

Molecular Formula:	C₇H₁₂O₄	Molecular Weight:	160.167780 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: BYBMHSADRRMVHY-UHFFFAOYSA-N

• N,N,N',N'-Tetramethyl Guanidine

IUPAC Name: 1,1,3,3-tetramethylguanidine | CAS Registry Number: 80-70-6
Synonyms: 1,1,3,3-Tetramethylguanidine, N,N,N',N'-Tetramethylguanidine, Guanidine, N,N,N',N'-tetramethyl-, Guanidine, 1,1,3,3-tetramethyl-, 241768_ALDRICH, CCRIS 6689, EINECS 201-302-7, NSC148309, NSC 148309, AI3-51030, Guanidine, 1,1,3,3-tetramethyl- (8CI), InChI=1/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H, 142118-43-2, 1729-17-5, 197451-33-5

Molecular Formula:	C₅H₁₃N₃	Molecular Weight:	115.176820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: KYVBNYUBXIEUFW-UHFFFAOYSA-N

• N-(2-Aminoethyl)-N-methyl carbamic acid tert-butyl ester

IUPAC Name: tert-butyl N-(2-aminoethyl)-N-methylcarbamate | CAS Registry Number: 121492-06-6
Synonyms: N-Boc-N-methylethylenediamine, n-boc-n-methyl-ethylenediamine, N-Boc-(2-Aminoethyl)-N-methylamine, tert-Butyl N-(2-aminoethyl)-N-methylcarbamate, SBB070199, AG-D-46613, tert-butyl 2-aminoethyl(methyl)carbamate, tert-Butyl N-methyl-N-(2-aminoethyl)carbamate, N-(2-Aminoethyl)-N-methylcarbamicacidtert-butylester, AC1MBTJH, AC1Q3XHB, ACMC-1C5QR, boc-n-methylethylenediamine, KSC495C7R, 15567_ALDRICH, (n-boc-n-methyl)ethylenediamine, N-boc-N-methyl ethyl enediamine, 15567_FLUKA, CTK3J5178, MolPort-000-151-049

Molecular Formula:	C₈H₁₈N₂O₂	Molecular Weight:	174.240720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: QYJVBVKFXDHFPQ-UHFFFAOYSA-N

• N-(3-amino-propyl)-n-methylcarbamic Acid T-butyl Ester

IUPAC Name: tert-butyl N-(3-aminopropyl)-N-methylcarbamate | CAS Registry Number: 150349-36-3
Synonyms: N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester, tert-butyl N-(3-aminopropyl)-N-methylcarbamate, tert-butyl 3-aminopropyl(methyl)carbamate, n-boc-n-methyl-1,3-diaminopropane, SBB070308, AG-D-87260, tert-Butyl N-(3-aminopropyl)-N-(methyl)carbamate, N-(3-Aminopropyl)-N-methylcarbamicacidtert-butylester, N-(3-Amino-propyl)-n-methylcarbamic acid t-butyl ester, N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester citrate, Carbamic acid,N-(4-aminobutyl)-N-methyl-, 1,1-dimethylethyl ester, AC1MBTTF, PubChem17193, AC1Q3XGT, ACMC-1BXU6, boc-n-me-1,3-diaminopropane, Jsp002865, CTK4C3991, MolPort-000-151-218, ACT09596

Molecular Formula:	C₉H₂₀N₂O₂	Molecular Weight:	188.267300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PNQYAMWGTGWJDW-UHFFFAOYSA-N

• N-(tert-Boc)ethylenediamine

IUPAC Name: tert-butyl N-(2-aminoethyl)carbamate | CAS Registry Number: 57260-73-8
Synonyms: N-Boc-ethylenediamine, N-Boc-1,2-diaminoethane, 419923_ALDRICH, 15369_FLUKA, tert-Butyl N-(2-aminoethyl)carbamate, AW 00372, TL8003688, C-1112

Molecular Formula:	C₇H₁₆N₂O₂	Molecular Weight:	160.214140 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: AOCSUUGBCMTKJH-UHFFFAOYSA-N

• N-Boc-Imino(triphenyl)phosphorane

IUPAC Name: tert-butyl N-(triphenyl-$l^{5}-phosphanylidene)carbamate | CAS Registry Number: 68014-21-1
Synonyms: N-Boc-Imino-(triphenyl)phosphorane, AG-G-58928, AC1MBUEJ, PubChem21840, tert-butyl N-(triphenyl-, KSC497Q2R, CTK3J7828, MolPort-000-151-695, ACT08700, ANW-48028, SBB062900, AKOS015899721, AC-6553, AK-44740, BR-44740, KB-57835, FT-0603767, W7833, A26279, I14-1114

Molecular Formula:	C₂₃H₂₄NO₂P	Molecular Weight:	377.415922 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: KNXPVXCUELYHDM-UHFFFAOYSA-N

• Tert-Butyl [3-(aminomethyl)phenyl]carbamate

IUPAC Name: tert-butyl N-[3-(aminomethyl)phenyl]carbamate | CAS Registry Number: 205318-52-1
Synonyms: 3-(Aminomethyl)-1-N-Boc-aniline, tert-butyl 3-(aminomethyl)phenylcarbamate, 3-aminobenzylamine, 3-boc protected, AC1MBTO8, SureCN165660, Tert-butyl N-[3-(aminomethyl)phenyl]carbamate, Ambpe2001923, 3-aminomethyl-1-n-boc-aniline, 3-(aminomethyl)-1n-boc-aniline, CTK4E4444, MolPort-000-151-130, ANW-47318, SBB096338, AKOS000169405, AC-6574, AG-E-50577, RP27400, 3-(Aminomethyl)aniline, 1-BOC protected, 3-[(tert-Butoxycarbonyl)amino]benzylamine, AK-48012

Molecular Formula:	C₁₂H₁₈N₂O₂	Molecular Weight:	222.283520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: NXQNEOIMZVWHQW-UHFFFAOYSA-N

• tert-Butyl N-[3-(aminomethyl)benzyl]carbamate

IUPAC Name: tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate | CAS Registry Number: 108467-99-8
Synonyms: Tert-butyl 3-(aminomethyl)benzylcarbamate, 1-(N-Boc-aminomethyl)-3-(aminomethyl)benzene, SBB052395, AG-D-24917, tert-ButylN-[3-(aminomethyl)benzyl]carbamate, N-tert-Butoxycarbonyl-1,3-bis(aminomethyl)benzene, Tert-butyl N-[[3-(aminomethyl)phenyl]methyl]carbamate, N-[[3-(Aminomethyl)phenyl]methyl]carbamic Acid 1,1-Dimethylethyl Ester, Tert-Butyl N-{[3-(Aminomethyl)Phenyl]Methyl}Carbamate, N-{[3-(aminomethyl)phenyl]methyl}(tert-butoxy)carboxamide, TERT-BUTYL N-([3-(AMINOMETHYL)PHENYL]METHYL)CARBAMATE, PubChem23597, ACMC-20a5uq, AC1MBSO3, SureCN184953, 535281_ALDRICH, AC1Q540O, CTK4A6056, MolPort-001-794-102, ANW-58512

Molecular Formula:	C₁₃H₂₀N₂O₂	Molecular Weight:	236.310100 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: GQAUPTTUSSLXPS-UHFFFAOYSA-N

• Tetrahydropyranyl-4-acetic acid

IUPAC Name: 2-(oxan-4-yl)acetic acid | CAS Registry Number: 85064-61-5
Synonyms: Tetrahydropyran-4-yl-acetic acid, CC 67401

Molecular Formula:	C₇H₁₂O₃	Molecular Weight:	144.168380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PBXYNWPYMVWJAH-UHFFFAOYSA-N

• Tryptamine

IUPAC Name: 2-(1H-indol-3-yl)ethanamine | CAS Registry Number: 61-54-1
Synonyms: tryptamine, 3-(2-aminoethyl)indole, 1H-Indole-3-ethanamine, Indol-3-ethylamine, 2-(3-Indolyl)ethylamine, Indole, 3-(2-aminoethyl)-, 2-(Indol-3-yl)ethylamine, nchembio.141-comp2, Tryptamine hydrochloride, Spectrum_000033, 2-Indol-3-ylethylamine, Spectrum2_000873, Spectrum3_001890, Spectrum4_000850, Spectrum5_001296, Lopac-246557, 2-(1H-Indol-3-yl)ethanamine, Lopac0_000061, Oprea1_870097, BSPBio_003400

Molecular Formula:	C₁₀H₁₂N₂	Molecular Weight:	160.215680 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: APJYDQYYACXCRM-UHFFFAOYSA-N

• 4-(Trifluoromethoxy)phenylboronic Acid

IUPAC Name: [4-(trifluoromethoxy)phenyl]boronic acid | CAS Registry Number: 139301-27-2
Synonyms: 510130_ALDRICH, BM250, 4-(Trifluoromethoxy)phenylboronic acid, 4-Trifluoromethoxyphenylboronic acid, ST5405983, TL8000894

Molecular Formula:	C₇H₆BF₃O₃	Molecular Weight:	205.926950 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HUOFUOCSQCYFPW-UHFFFAOYSA-N

• 5-Fluorouridine

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione | CAS Registry Number: 316-46-1
Synonyms: FUrd, 5-Fluoro-uridine, 5-Fur, Uridine, 5-fluoro-, F5130_SIGMA, EINECS 206-260-3, 5-Fluorouracil 1beta-D-ribofuranoside, AIDS008705, NSC 146604, AIDS-008705, BRN 0033662, ZINC01078624, DB01629, NCGC00142485-01, 5-Fluoro-1-.beta.-D-ribofuranosyluracil, ST056943, LS-160834, C16633, 4-24-00-01231 (Beilstein Handbook Reference), Fur

Molecular Formula:	C₉H₁₁FN₂O₆	Molecular Weight:	262.191843 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: FHIDNBAQOFJWCA-UAKXSSHOSA-N

• 1-Boc-3-pyrrolidinone

IUPAC Name: tert-butyl 3-oxopyrrolidine-1-carboxylate | CAS Registry Number: 101385-93-7
Synonyms: N-Boc-3-pyrrolidinone, N-Boc-3-pyrrolidinol, 637564_ALDRICH, AIDS071255, AIDS-071255, ZINC04202590, tert-Butyl 3-oxopyrrolidinecarboxylate, N-(tert-Butoxycarbonyl)-3-pyrrolidinone, TL806112

Molecular Formula:	C₉H₁₅NO₃	Molecular Weight:	185.220300 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N

• 1-(3-Hydroxypropyl)-4-methylpiperazine

IUPAC Name: 3-(4-methylpiperazin-1-yl)propan-1-ol | CAS Registry Number: 5317-33-9
Synonyms: 4-Methyl-1-piperazinepropanol, 1-Piperazinepropanol, 4-methyl-, EINECS 226-177-6, NSC351986, 3-(4-Methyl-1-piperazine)propan-1-ol, 1-(3-Hydroxypropyl)-4-methyl-piperazine, SL-01902

Molecular Formula:	C₈H₁₈N₂O	Molecular Weight:	158.241320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: JKRSQNBRNIYETC-UHFFFAOYSA-N

• 3-Methylglutaric Acid

IUPAC Name: 3-methylpentanedioic acid | CAS Registry Number: 626-51-7
Synonyms: 3-METHYLGLUTARIC ACID, 3-Methylpentanedioic acid, beta-Methylglutaric acid, bmse000575, Pentanedioic acid, 3-methyl-, M47604_ALDRICH, 66990_FLUKA, CID12284, NSC14870, EINECS 210-951-5, LMFA01170117, NSC 14870, Pentanedioic acid, 3-methyl- (9CI), OR30156, TL8004224, S04-0128

Molecular Formula:	C₆H₁₀O₄	Molecular Weight:	146.141200 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: XJMMNTGIMDZPMU-UHFFFAOYSA-N

• 4-Nitroisatoic anhydride

IUPAC Name: 7-nitro-1H-3,1-benzoxazine-2,4-dione | CAS Registry Number: 63480-10-4
Synonyms: NSC135175, ZINC01721767

Molecular Formula:	C₈H₄N₂O₅	Molecular Weight:	208.127760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: KCNIWFFVWBXWAV-UHFFFAOYSA-N

• 2-aminomethyl-pyrrolidine-1-carboxylic Acid Tert-butyl Ester

IUPAC Name: [(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylazanium | CAS Registry Number: 177911-87-4
Synonyms: ZINC04202585

Molecular Formula:	C₁₀H₂₁N₂O₂+	Molecular Weight:	201.285940 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: SOGXYCNKQQJEED-MRVPVSSYSA-O

• 2,4-Dihydroxybenzaldehyde

IUPAC Name: 2,4-dihydroxybenzaldehyde | CAS Registry Number: 95-01-2
Synonyms: beta-Resorcylaldehyde, 4-Formylresorcinol, beta-Resorcaldehyde, beta-Resorcinaldehyde, beta-Rosorcaldehyde, 4-Hydroxysalicylaldehyde, .beta.-Resorcylaldehyde, 2,4-DIHYDROXYBENZALDEHYDE, beta-Resorcylic aldehyde, Benzaldehyde, 2,4-dihydroxy-, 4-Hydroxysalicyladehyde, .beta.-Resorcaldehyde, Salicylaldehyde, 4-hydroxy-, 2,4-Dihydroxybenzenecarbonal, .beta.-Resorcinaldehyde, 2,4-Dihydroxybenzaldehyd, .beta.-Resorcylic aldehyde, MLS001076174, 168637_ALDRICH, NSC 8690

Molecular Formula:	C₇H₆O₃	Molecular Weight:	138.120740 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IUNJCFABHJZSKB-UHFFFAOYSA-N

• 4-formyl-piperidine-1-carboxylic Acid Benzyl Ester

IUPAC Name: benzyl 4-formylpiperidine-1-carboxylate | CAS Registry Number: 138163-08-3
Synonyms: 4-Formyl-N-Cbz-piperidine, 1-Cbz-4-Piperidine Carboxaldehyde, benzyl 4-formylpiperidine-1-carboxylate, n-cbz-piperidine-4-carbaldehyde, benzyl 4-formyltetrahydro-1(2h)-pyridinecarboxylate, n-cbz-4-formylpiperidine, 1-n-cbz-4-formylpiperidine, 1-Cbz-4-Piperidinecarboxaldehyde, 1-(Benzyloxycarbonyl)-4-piperidinecarboxaldehyde, 4-formyl-piperidine-1-carboxylic acid benzyl ester, SBB052334, AG-D-77269, N-CBZ-PIPERIDINE-4-CARBOXALDEHYDE, phenylmethyl 4-formylpiperidinecarboxylate, piperidine-4-carboxaldehyde, n-cbz protected, ZINC00158639, AC1MCQUF, PubChem14070, ACMC-20a0xz, KSC495E0F

Molecular Formula:	C₁₄H₁₇NO₃	Molecular Weight:	247.289680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: ZJQMLJFHCKTCSF-UHFFFAOYSA-N

• 2-Amino-Benzothiazole-6-Carboxylic Acid Ethyl Ester

IUPAC Name: ethyl 2-amino-1,3-benzothiazole-6-carboxylate | CAS Registry Number: 50850-93-6
Synonyms: ZERO/004698, ALBB-005806, CID601008, Ethyl 2-amino-1,3-benzothiazole-6-carboxylate, STK396705, ZINC00050705, Ethyl 2-aminobenzothiazole-6-carboxylate, BAS 03421084, AH-357/03328062, 2-Amino-benzothiazole-6-carboxylic acid ethyl ester, InChI=1/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12

Molecular Formula:	C₁₀H₁₀N₂O₂S	Molecular Weight:	222.263600 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: VYJSGJXWKSDUSG-UHFFFAOYSA-N

• 2,6-Dichloronicotinic acid

IUPAC Name: 2,6-dichloropyridine-3-carboxylic acid | CAS Registry Number: 38496-18-3
Synonyms: 2,6-Dichloropyridine-3-carboxylic acid, 2,6-Dichloro-nicotinic acid, 2,6-Dichloronicotinincacid, 2,6-Dichloro-3-pyridinecarboxylic acid, 2,6-DICHLORONICOTININC ACID, dichloronicotinic acid, AG-F-35778, PubChem1225, AC1LGYTO, ACMC-209j0g, KSC223C9J, 658219_ALDRICH, AC1Q729L, AC1Q729M, Jsp006737, CTK1C3194, MolPort-000-002-885, BB_SC-3001, ACN-S002234, ACN-S004053

Molecular Formula:	C₆H₃Cl₂NO₂	Molecular Weight:	191.999520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: AJPKQSSFYHPYMH-UHFFFAOYSA-N

• 6-Methoxy-1-naphthol

IUPAC Name: 6-methoxynaphthalen-1-ol | CAS Registry Number: 22604-07-5
Synonyms: 6-methoxy-1-naphthol, 6-methoxynaphthalen-1-ol, AG-E-64673, SureCN774076, 6-methoxy-naphthalen-1-ol, 1-Naphthalenol,6-methoxy-, CTK4E9804, MolPort-009-198-382, RW3393, AKOS006279493, QC-2276, AK-81857, KB-45614, FT-0080562, FT-0635543, A20626, I14-8882, 1-Naphthol,6-methoxy- (6CI,7CI,8CI);1-Hydroxy-6-methoxynaphthalene;6-Methoxy-1-naphthol;6-Methoxynaphthalen-1-ol;

Molecular Formula:	C₁₁H₁₀O₂	Molecular Weight:	174.195900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: LPPSENSUXVOOII-UHFFFAOYSA-N

• 1-Penten-3-Ol, 5-Amino-

IUPAC Name: 5-aminopent-1-en-3-ol | CAS Registry Number: 87487-96-5
Synonyms: 5-aminopent-1-en-3-ol, 1-Penten-3-ol, 5-amino-, AGN-PC-00AC3G, 5-Amino-pent-1-en-3-ol, CTK3E7836, AKOS006277332, RL05446, KB-41685, A67286, S14-2394

Molecular Formula:	C₅H₁₁NO	Molecular Weight:	101.146940 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: GTYDVILRLCJUHL-UHFFFAOYSA-N

• 3-Cyclopenten-1-Amine, Hydrochloride (1:1)

IUPAC Name: cyclopent-3-en-1-amine;hydrochloride | CAS Registry Number: 91469-55-5
Synonyms: 1-Amino-3-cyclopentene hydrochloride, cyclopent-3-enamine hydrochloride, cyclopent-3-en-1-amine hydrochloride, 1-amino-3-cyclopentene hcl, 4-aminocyclopentenehydrochloride, 4-Aminocyclopentene hydrochloride, cyclopent-3-enylamine hydrochloride, SBB052044, sNxHHHaAYZzjP@, AC1MBTH2, SureCN1583470, 1-amino-3-cyclopentene, hcl, cyclopent-3-enylamine, chloride, CTK7D5970, MolPort-000-151-005, ACN-S001830, ACT10576, 1-amino-2-cyclopentene,hydrochloride, ANW-48023, 3-Cyclopenten-1-amine, hydrochloride

Molecular Formula:	C₅H₁₀ClN	Molecular Weight:	119.592600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	1

InChIKey: UUABBBRHNAYHLO-UHFFFAOYSA-N

• 2,4-dichloro-5-methoxyaniline

IUPAC Name: 2,4-dichloro-5-methoxyaniline | CAS Registry Number: 98446-49-2
Synonyms: MLS000707240, ZINC01388874, 4L-348S, CID1476636, SMR000334622

Molecular Formula:	C₇H₇Cl₂NO	Molecular Weight:	192.042580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AJROJTARXSATEB-UHFFFAOYSA-N

• 5-Phenyltetrazole

IUPAC Name: 5-phenyl-2H-tetrazole | CAS Registry Number: 18039-42-4
Synonyms: Phenyltetrazole, 5-Phenyl tetrazole, Expandex 5PT, Expandex OX 5PT, 5-Phenyl-2H-tetrazole, Kempore 50XPT, 1H-Tetrazole, 5-phenyl-, 5-Phenyl-1H-tetrazole, 2H-Tetrazole, 5-phenyl-, Tetrazole, 5-phenyl-, 5-Phenyltetrazole (VAN), 5-phenyl-2H-tetraazole, Enamine_005030, MA 1623, MLS000779707, 347744_ALDRICH, Tetrazole, 5-phenyl- (6CI), EINECS 241-950-8, NSC 11138, AIDS084282

Molecular Formula:	C₇H₆N₄	Molecular Weight:	146.149340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: MARUHZGHZWCEQU-UHFFFAOYSA-N

• 3,5-Bis(trifluoromethyl)benzylaminehydrochloride

IUPAC Name: [3,5-bis(trifluoromethyl)phenyl]methanamine;hydrochloride | CAS Registry Number: 42365-62-8
Synonyms: (3,5-bis(trifluoromethyl)phenyl)methanamine hydrochloride, 3,5-Bis(trifluoromethyl)benzylamine hydrochloride, 3,5-Bis(trifluoromethyl)benzylamineHCl, CTK8C4725, MolPort-002-500-063, ACT12975, ANW-72925, AKOS015847605, AG-F-50618, AM61970, MB02546, AK-86186, KB-28468, W6219, Benzenemethanamine, 3,5-bis(trifluoromethyl)-, hydrochloride (1:1), Benzenemethanamine,3,5-bis(trifluoromethyl)-, hydrochloride (9CI);3,5-Bis(trifluoromethyl)benzylaminehydrochloride;

Molecular Formula:	C₉H₈ClF₆N	Molecular Weight:	279.609939 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	7

InChIKey: OKJHHGNJFKHGRZ-UHFFFAOYSA-N

• 3-Fluoro-4-Methoxybenzoyl Chloride

IUPAC Name: 3-fluoro-4-methoxybenzoyl chloride | CAS Registry Number: 3907-15-1
Synonyms: Ambap1231, ZINC02586039, 3-Fluoro-4-methoxybenzoyl chloride, JRD-1361, CID2779255

Molecular Formula:	C₈H₆ClFO₂	Molecular Weight:	188.583443 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LOSBAHQDKBWMBY-UHFFFAOYSA-N

• 5-Bromoisatoic anhydride

IUPAC Name: 6-bromo-1H-3,1-benzoxazine-2,4-dione | CAS Registry Number: 4692-98-2
Synonyms: 441066_ALDRICH, 477702_ALDRICH, ALBB-008790, NSC149816, ZINC00396116, 6-bromo-2H-3,1-benzoxazine-2,4(1H)-dione, ST5165822, 2H-3,1-benzoxazine-2,4(1H)-dione, 6-bromo-, 6-Bromo-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione, InChI=1/C8H4BrNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12

Molecular Formula:	C₈H₄BrNO₃	Molecular Weight:	242.026260 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DXSMYDSFWCOSFM-UHFFFAOYSA-N

• 14-Bromo-1-tetradecanol

IUPAC Name: 14-bromotetradecan-1-ol | CAS Registry Number: 72995-94-9
Synonyms: ZINC04202300, CID2757182

Molecular Formula:	C₁₄H₂₉BrO	Molecular Weight:	293.283460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VKXZRJZWAYBBAE-UHFFFAOYSA-N

• 4-Chlorobenzotrifluoride

IUPAC Name: 1-chloro-4-(trifluoromethyl)benzene | CAS Registry Number: 98-56-6
Synonyms: p-Chlorobenzotrifluoride, para-Chlorobenzotrifluoride, p-Chlorotrifluoromethylbenzene, p-Trifluoromethylphenyl chloride, (p-Chlorophenyl)trifluoromethane, p-(Trifluoromethyl)chlorobenzene, p-Chloro-a,a,a-trifluorotoluene, CCRIS 720, Benzene, 1-chloro-4-(trifluoromethyl)-, para-Chlorotrifluoromethylbenzene, C26402_ALDRICH, HSDB 4251, 1-(Trifluoromethyl)-4-chlorobenzene, 1-CHLORO-4-(TRIFLUOROMETHYL)BENZENE, 23720_FLUKA, 4-Chloro-a,a,a-trifluorotoluene, EINECS 202-681-1, NSC 10309, NSC10309, 4-Chloro-alpha,alpha,alpha-trifluorotoluene

Molecular Formula:	C₇H₄ClF₃	Molecular Weight:	180.554870 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: QULYNCCPRWKEMF-UHFFFAOYSA-N

• 7-Hydroxy-1-Naphthonitrile

IUPAC Name: 7-hydroxynaphthalene-1-carbonitrile | CAS Registry Number: 19307-13-2
Synonyms: 7-HYDROXYNAPHTHALENE-1-CARBONITRILE, AG-E-41047, SureCN112028, 7-Hydroxy-1-naphthonitrile, CTK4E1156, MolPort-009-198-421, 1-Naphthalenecarbonitrile,7-hydroxy-, OR2133, ZINC02509475, AKOS015900992, AK-33908, KB-46426, FT-0649723, I14-16059, 1-Naphthonitrile,7-hydroxy- (8CI); 7-Hydroxy-1-naphthonitrile; 8-Cyano-2-naphthol;8-Cyanonaphthalen-2-ol

Molecular Formula:	C₁₁H₇NO	Molecular Weight:	169.179380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: UDGWTXRLMHXQKB-UHFFFAOYSA-N

• 3,5-Dichloroisatoicanhydride

IUPAC Name: 6,8-dichloro-1H-3,1-benzoxazine-2,4-dione | CAS Registry Number: 4693-00-9
Synonyms: ZINC02556300, CID78413, EINECS 225-149-0, 6,8-Dichloro-2H-3,1-benzoxazine-2,4(1H)-dione

Molecular Formula:	C₈H₃Cl₂NO₃	Molecular Weight:	232.020320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VOCGTJXVKKCXJH-UHFFFAOYSA-N

• 2-nitro-5-hydroxybenzaidehyde

IUPAC Name: 5-hydroxy-2-nitrobenzaldehyde | CAS Registry Number: 42454-06-8
Synonyms: 5-Hydroxy-2-nitrobenzaldehyde, 3-Formyl-4-nitrophenol, Ambap4511, 6-Nitro-3-hydroxybenzaldehyde, H48107_ALDRICH, 55972_FLUKA, EINECS 255-832-9, NSC 93899, BENZALDEHYDE, 5-HYDROXY-2-NITRO-, CID39211, NSC93899, BRN 1910196, LS-25078, 4-08-00-00250 (Beilstein Handbook Reference), InChI=1/C7H5NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-4,10

Molecular Formula:	C₇H₅NO₄	Molecular Weight:	167.118900 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XLYPHUGUKGMURE-UHFFFAOYSA-N

• 5-Amino-1,4-Benzodioxane

IUPAC Name: 2,3-dihydro-1,4-benzodioxin-5-amine | CAS Registry Number: 16081-45-1
Synonyms: 5-Amino-1,4-benzodioxane, 2,3-dihydro-1,4-benzodioxin-5-amine, 2,3-Dihydrobenzo[b][1,4]dioxin-5-amine, 2,3-Dihydro-benzo[1,4]dioxin-5-ylamine, 2,3-ETHYLENEDIOXYANILINE, 5-AMINO-1,4-BENZODIOXAN, 5-AMINO-1,4-DIBENZODIOXANE, SBB052002, AG-E-10400, 5-AMINO-2,3-DIHYDRO-1,4-BENZODIOXIN, 5-AMINO-2,3-DIHYDRO-1,4-BENZODIOXINE, 2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-5-AMINE, 5-Amino-2,3-dihydro-1,4-benzodioxine hydrochloride, zlchem 641, ACMC-1BOV8, SureCN253657, AC1Q51CO, KSC530K9R, AGN-PC-00G6E8, CTK4D0598

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DMLRSJNZORFCBD-UHFFFAOYSA-N

• 4-Carboxylicisatoicanhydride

IUPAC Name: 2,4-dioxo-1H-3,1-benzoxazine-7-carboxylic acid | CAS Registry Number: 77423-14-4
Synonyms: 4-Carboxylic-isatoic anhydride, 4-carboxylic isatoic anhydride, 2,4-dioxo-2,4-dihydro-1h-benzo[d][1,3]oxazine-7-carboxylic acid, 2,4-dioxo-1H-3,1-benzoxazine-7-carboxylic acid, AC1MBVPZ, PubChem15881, 4-carboxylicisatoic anhydride, CTK2H6970, MolPort-000-152-682, ANW-54406, AKOS015856055, AG-H-09809, AK-94883, KB-37546, FT-0641647, A839093, S14-2345, 2,4-bis(oxidanylidene)-1H-3,1-benzoxazine-7-carboxylic acid, 2H-3,1-Benzoxazine-7-carboxylicacid, 1,4-dihydro-2,4-dioxo-, 2,4-dioxo-1,4-dihydro-2h-benzo[d][1,3]oxazine-7-carboxylic acid

Molecular Formula:	C₉H₅NO₅	Molecular Weight:	207.139700 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: LSXSNVAJTUIEHR-UHFFFAOYSA-N

• 4-Benzyloxyphenylacetic acid methyl ester

IUPAC Name: methyl 2-(4-phenylmethoxyphenyl)acetate | CAS Registry Number: 68641-16-7
Synonyms: Methyl 4-benzyloxyphenylacetate, methyl 2-(4-(benzyloxy)phenyl)acetate, Methyl4-benzyloxyphenylacetate, AG-G-65140, (4-benzyloxy-phenyl)-acetic acid methyl ester, ZINC00402069, AC1MBU1R, SureCN392863, Ambap68641-16-7, CTK5C8301, MolPort-000-151-440, AKOS016014281, AC-6497, MCULE-9203382476, RL04621, methyl 2-(4-phenylmethoxyphenyl)acetate, AK129642, AM804231, KB-53675, 4-(benzyloxyphenyl)acetic acid methyl ester

Molecular Formula:	C₁₆H₁₆O₃	Molecular Weight:	256.296440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: OUWFDISHMBDYON-UHFFFAOYSA-N

• 3-Benzoyl-2-thiophenecarboxylic acid

IUPAC Name: 3-(benzoyl)thiophene-2-carboxylic acid | CAS Registry Number: 30006-03-2
Synonyms: NSC241104, AIDS128178, AIDS-128178, NSC 241104

Molecular Formula:	C₁₂H₈O₃S	Molecular Weight:	232.255120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZKHLBCVFVQJMBT-UHFFFAOYSA-N

• 1-Boc-piperidin-4-ylacetic acid

IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid | CAS Registry Number: 157688-46-5
Synonyms: Ambp909200, 1-Boc-4-piperidylacetic acid, 1-Boc-4-piperidineacetic acid, 81964_FLUKA, ALBB-006374, [1-(tert-butoxycarbonyl)piperidin-4-yl]acetic acid, 4-Carboxymethyl-piperidine-1-carboxylic acid, tert-butyl ester

Molecular Formula:	C₁₂H₂₁NO₄	Molecular Weight:	243.299440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ZXFLMSIMHISJFV-UHFFFAOYSA-N

• 3-Fluoro-4-methoxyphenylboronic acid

IUPAC Name: (3-fluoro-4-methoxyphenyl)boronic acid | CAS Registry Number: 149507-26-6
Synonyms: 564036_ALDRICH, BM273, ST5408490, TL8001076

Molecular Formula:	C₇H₈BFO₃	Molecular Weight:	169.946023 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: IILGLPAJXQMKGQ-UHFFFAOYSA-N

• 2,4-Dichloro-5-EthylsulfanylmethylPyrimidine

IUPAC Name: 2,4-dichloro-5-(ethylsulfanylmethyl)pyrimidine | CAS Registry Number: 108141-35-1
Synonyms: 2,4-Dichloro-5-[(ethylthio)methyl]pyrimidine, Pyrimidine,2,4-dichloro-5-[(ethylthio)methyl]-, ACMC-20mbcs, AGN-PC-00N3UW, CTK4A5880, ZINC02381629, AKOS015910227, AC-6524, AG-D-24313, 2,4-dichloro-5-(ethylthiomethyl)pyrimidine, 2,4-Dichloro-5-ethylsulfanylmethylpyrimidine, FT-0687236, A-2316, Pyrimidine, 2,4-dichloro-5-[(ethylthio)methyl]-, I14-40001, 2,4-dichloro-5-[(ethylthio)methyl]pyrimidine;2,4-dichloro-5-ethylsulfanylmethyl-pyrimidine;

Molecular Formula:	C₇H₈Cl₂N₂S	Molecular Weight:	223.122820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LVMRWJLPIBPOMZ-UHFFFAOYSA-N