Nanjing King-Pharm Co., Ltd.

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Profile: Nanjing King-Pharm Co., Ltd. is a manufacturer of chemical, agrochemical, organic and pharmaceutical intermediates. We also offer active pharmaceutical ingredients and electronic chemicals. Our products include diethyl oxaloacetate, 5-amino-2-methoxypyridine, 4-hydroxyisophthalic acid, 4-iodobiphenyl, N,N'-diphenylbenzidine, 4,4'-diiodobiphenyl, 4-bromotriphenylamine and 1-bromo-3-iodobenzene.

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• Phenylacetyl disulphide

IUPAC Name: S-(2-phenylacetyl)sulfanyl 2-phenylethanethioate | CAS Registry Number: 15088-78-5
Synonyms: Phenylacetyl disulfide, CBDivE_012388, 554324_ALDRICH, ZINC04352620

Molecular Formula:	C₁₆H₁₄O₂S₂	Molecular Weight:	302.411160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IXGZXXBJSZISOO-UHFFFAOYSA-N

• Phenylmalonic Acid

IUPAC Name: 2-phenylpropanedioic acid | CAS Registry Number: 2613-89-0
Synonyms: Phenylmalonic acid, 2-Phenylmalonic acid, Malonic acid, phenyl-, Propanedioic acid, phenyl-, Ambap2995, 1o4p, 2-phenylpropanedioic acid, PHENYL MALONIC ACID, alpha-Carboxyphenylacetic acid, 160369_ALDRICH, Malonic acid, phenyl- (8CI), .alpha.-Carboxyphenylacetic acid, RU78191, CID75791, NSC27164, NSC41697, EINECS 220-044-6, NSC 27164, NSC 41697, Toluene-alpha,alpha-dicarboxylic acid

Molecular Formula:	C₉H₈O₄	Molecular Weight:	180.157420 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: WWYDYZMNFQIYPT-UHFFFAOYSA-N

• Phosphonitrilic chloride trimer

IUPAC Name: 1,1,3,3,5,5-hexachloro-2,4,6-triaza-1$l^{5},3$l^{5},5$l^{5}-triphosphacyclohexa-1,3,5-triene | CAS Registry Number: 940-71-6
Synonyms: Hexachlorophosphazene, Hexachlorocyclotriphosphazene, Triphosphonitrile chloride, Hexachlorotriphosphonitrile, Triphosphonitrilic chloride, Cyclophosphazene dichloride trimer, Hexachlorocyclophosphazatriene, Dichlorocyclophosphazine trimer, Hexachlorocyclotriphosphazine, Hexachlorocyclotriphosphazatriene, Phosphononitrilic chloride trimer, NSC2667, 230286_ALDRICH, 481947_ALDRICH, Cyclophosphonitrilic chloride trimer, NSC209799, Phosphonitrilic chloride cyclic trimer, AIDS011557, Phosphonitrile chloride, cyclic trimer, AIDS-011557

Molecular Formula:	Cl₆N₃P₃	Molecular Weight:	347.659383 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: UBIJTWDKTYCPMQ-UHFFFAOYSA-N

• Phthalocyanine Tin(iv) Dichloride

Synonyms: CID9589406, Tin, dichloro(29H,31H-phthalocyaninato(2-)-kappaN29,kappaN30,kappaN31,kappaN32)-, (OC-6-12)-, 190391-73-2

Molecular Formula:	C₃₂H₁₆Cl₂N₈Sn	Molecular Weight:	702.139040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	7

InChIKey: BBRNKSXHHJRNHK-UHFFFAOYSA-L

• Picolinic Acid

IUPAC Name: pyridine-2-carboxylic acid | CAS Registry Number: 98-98-6
Synonyms: picolinic acid, 2-Carboxypyridine, 2-Pyridinecarboxylic acid, Nicogamol, Nikogamol, picolinate, 2-Picolinic acid, alpha-Picolinic acid, o-Pyridinecarboxylic acid, Pyridine-2-carboxylic acid, 2-pyridinecarboxylate, alpha-Pyridinecarboxylic acid, Acide picolique [French], 2-pyridine carboxylic acid, Oprea1_485360, P42800_ALDRICH, MLS001335931, MLS001335932, PYRIDINECARBOXYLIC ACID, NSC 171

Molecular Formula:	C₆H₅NO₂	Molecular Weight:	123.109400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: SIOXPEMLGUPBBT-UHFFFAOYSA-N

• Piperine

IUPAC Name: (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one | CAS Registry Number: 94-62-2
Synonyms: piperine, 1-Piperoylpiperidine, Piperin, Bioperine, Piperoylpiperidine, Piperine (aliphatic), 1-Piperoyl-piperidine, Prestwick_398, piperine, (E,E)-isomer, Prestwick2_000474, Prestwick3_000474, Spectrum5_001507, piperine, (E,Z)-isomer, piperine, (Z,E)-isomer, piperine, (Z,Z)-isomer, FEMA No. 2909, CCRIS 5572, N-[(E,E)-Piperoyl]piperidine, (E,E)-1-piperoylpiperidine, 1-Piperoylpiperidine, (E,E)-

Molecular Formula:	C₁₇H₁₉NO₃	Molecular Weight:	285.337660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: MXXWOMGUGJBKIW-YPCIICBESA-N

• Podophyllotoxin

IUPAC Name: (5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one | CAS Registry Number: 518-28-5
Synonyms: podophyllotoxin, Podofilox, Condylox, Condyline, Wartec, Warticon, Podophyllotoxin 7, Mayapple isolate, Epipodophyllotoxin, Podofilox [USAN], Podophyllinic acid lactone, Condylox (TN), Podofilox (USAN), Prestwick_1018, (-)-Podophyllotoxin, Podophyllotoxin (BAN), Spectrum_000199, Podophyllotoxin (8CI), Prestwick0_000782, Prestwick1_000782

Molecular Formula:	C₂₂H₂₂O₈	Molecular Weight:	414.405280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	8

InChIKey: YJGVMLPVUAXIQN-XVVDYKMHSA-N

• Polydatin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 65914-17-2
Synonyms: Piceid, Ambap3820, 3,4,5-Tsg, MLS000759499, MLS001424114, 572691_ALDRICH, Resveratrol 3-beta-mono-D-glucoside, AIDS070480, AIDS-070480, CID5281718, 3,5,4'-Trihydroxystilbene 3-glucoside, CPD000466371, SAM001246720, SMR000466371, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside, C10275, 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside, 27208-80-6, 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl

Molecular Formula:	C₂₀H₂₂O₈	Molecular Weight:	390.383880 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-N

• Polydatin

IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 27208-80-6
Synonyms: Piceid, Ambap3820, 3,4,5-Tsg, MLS000759499, MLS001424114, 572691_ALDRICH, Resveratrol 3-beta-mono-D-glucoside, AIDS070480, AIDS-070480, CID5281718, 3,5,4'-Trihydroxystilbene 3-glucoside, CPD000466371, SAM001246720, SMR000466371, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside, C10275, 3,4'-5-Trihydroxystilbene-3-beta-D-glucopyranoside, 3-Hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-beta-D-glucoside, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl, beta-D-Glucopyranoside, 3-hydroxy-5-(2-(4-hydroxyphenyl)ethenyl)phenyl-, (E)-

Molecular Formula:	C₂₀H₂₂O₈	Molecular Weight:	390.383880 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: HSTZMXCBWJGKHG-CUYWLFDKSA-N

• Potassium monoethyl malonate

IUPAC Name: 3-ethoxy-3-oxopropanoate | CAS Registry Number: 6148-64-7
Synonyms: ZINC00389716, CID3595298

Molecular Formula:	C₅H₇O₄-	Molecular Weight:	131.106680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: HGINADPHJQTSKN-UHFFFAOYSA-M

• Propiolic acid methyl ester

IUPAC Name: methyl prop-2-ynoate | CAS Registry Number: 922-67-8
Synonyms: Methyl propynoate, METHYL PROPIOLATE, Methyl ethynecarboxylate, Methyl acetylenecarboxylate, Propiolic acid, methyl ester, 2-Propynoic acid, methyl ester, Propynoic acid, methyl ester, 171859_ALDRICH, 81863_FLUKA, EINECS 213-083-5, Acetylenecarboxylic acid methyl ester, NSC 154164, ALBB-008926, BRN 0605462, NSC154164, ZINC01564788, AI3-37828, 2-Propynoic acid, methyl ester (9CI), SB 01817, LS-123962

Molecular Formula:	C₄H₄O₂	Molecular Weight:	84.073360 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: IMAKHNTVDGLIRY-UHFFFAOYSA-N

• Puerarin

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one | CAS Registry Number: 3681-99-0
Synonyms: NPI-31G, P5555_SIGMA, 82435_FLUKA, CID5281807, C10524, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one

Molecular Formula:	C₂₁H₂₀O₉	Molecular Weight:	416.378100 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: HKEAFJYKMMKDOR-VPRICQMDSA-N

• Quercetin Dihydrate

IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one dihydrate | CAS Registry Number: 6151-25-3
Synonyms: Quercetin dihydrate, Quercetine dihydrate, Prestwick_541, Quercetin, Dihydrate, QUERCITRIN DIHYDRATE, CCRIS 3304, CID5284452, LS-1471, NCGC00017056-01, CAS-6151-25-3, ST5309238, Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate, 3,3′,4′,5,7-Pentahydroxyflavone, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate, QUERCETIN DIHYDRATE (SEE ALSOQUERCETIN (117-39-5))

Molecular Formula:	C₁₅H₁₄O₉	Molecular Weight:	338.266260 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	9

InChIKey: GMGIWEZSKCNYSW-UHFFFAOYSA-N

• Resveratrol

IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol | CAS Registry Number: 501-36-0
Synonyms: resveratrol, trans-resveratrol, (E)-resveratrol, 3,4',5-Stilbenetriol, 3,4',5-Trihydroxystilbene, Prestwick_619, 3,5,4'-Trihydroxystilbene, nchembio.140-comp2, Prestwick2_000508, Prestwick3_000508, Spectrum5_000552, Lopac0_001111, BSPBio_000435, BSPBio_001114, BSPBio_003461, 3,4',5-trihydroxy-stilbene, MLS000069735, MLS001055357, MLS001076538, R5010_SIGMA

Molecular Formula:	C₁₄H₁₂O₃	Molecular Weight:	228.243280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-N

• Rhein

IUPAC Name: 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid | CAS Registry Number: 478-43-3
Synonyms: Rhubarb Yellow, Monorhein, Cassic acid, Rheic acid, dipropionyl rhein, Chrysazin-3-carboxylic acid, CCRIS 5129, MLS000069639, R7269_SIGMA, 275611_ALDRICH, MEGxp0_001866, ACon1_000217, EINECS 207-521-4, C15H8O6, 4,5-DiOH-anthraquinone-2-COOH, NSC 38629, AIDS001379, 4,5-Dihydroxyanthraquinone-2-carboxylic acid, AIDS-001379, NSC38629

Molecular Formula:	C₁₅H₈O₆	Molecular Weight:	284.220420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: FCDLCPWAQCPTKC-UHFFFAOYSA-N

• Roxithromycin

IUPAC Name: (2R,3S,4S,5R,6R,8R,9E,10S,11R,12S,13R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-6,11,12-trihydroxy-3-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-9-(2-methoxyethoxymethoxyimino)-2,4,6,8,10,12-hexamethyl-14-oxacyclotetradecan-1-one | CAS Registry Number: 80214-83-1
Synonyms: roxithromycin, Rulide, Prestwick_1046, Roxithromycine [French], Roxithromycinum [Latin], Roxitromicina [Spanish], Prestwick2_000854, CCRIS 3461, Roxithromycin [USAN:INN:JAN], RU 965, AIDS208769, AIDS-208769, C41H76N2O15, BRN 4286925, RU-965, RU 28965, CID9567573, Roxithromycin plus Tumor Necrosis Factor, LS-64684, RU-28965

Molecular Formula:	C₄₁H₇₆N₂O₁₅	Molecular Weight:	837.046540 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	17

InChIKey: RXZBMPWDPOLZGW-KMAKEOJNSA-N

• Serotonin Hcl

IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol hydrochloride | CAS Registry Number: 153-98-0
Synonyms: Serotonin hydrochloride, Prestwick_447, 5-Hydroxytryptamine hydrochloride, CCRIS 4420, MLS001332607, MLS001332608, MLS002153834, H9523_SIGMA, 5-HT, SBB003418, NCGC00093982-01, NCGC00093982-02, LS-83659, SMR000875214, EU-0100607, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, H-8140, 1H-Indol-5-ol, 3-(2-aminoethyl)-, monohydrochloride

Molecular Formula:	C₁₀H₁₃ClN₂O	Molecular Weight:	212.676020 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	3

InChIKey: MDIGAZPGKJFIAH-UHFFFAOYSA-N

• Shikimic Acid

IUPAC Name: (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid | CAS Registry Number: 138-59-0
Synonyms: shikimic acid, shikimate, L-Shikimic acid, 2aay, (-)-Shikimic acid, Bracken fern toxic component, Spectrum_001232, 1we2, 2aa9, SpecPlus_000488, Spectrum2_001508, Spectrum3_001541, Spectrum4_001853, Spectrum5_000386, CCRIS 7681, HSDB 3537, BSPBio_002982, KBioGR_002287, KBioSS_001712, DivK1c_006584

Molecular Formula:	C₇H₁₀O₅	Molecular Weight:	174.151300 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: JXOHGGNKMLTUBP-HSUXUTPPSA-N

• Silymarin (Milk Thistle)

IUPAC Name: (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-2,3-dihydrochromen-4-one | CAS Registry Number: 65666-07-1
Synonyms: Silybin, SILYMARIN, Silymarin + Melatonin, ZINC01530850, CID1548994, (2R,3R)-3,5,7-trihydroxy-2-[(2S,3S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one

Molecular Formula:	C₂₅H₂₂O₁₀	Molecular Weight:	482.436180 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: SEBFKMXJBCUCAI-WAABAYLZSA-N

• Sinomenine

Synonyms: Cucoline, Kukoline, Coculine, cuculine, Sabianine A, COCCULINE, Spectrum2_001242, Spectrum3_001134, Spectrum4_001981, Spectrum5_001621, UPCMLD-DP085, sinomenine A bismethyliodide, CCRIS 1550, BSPBio_002627, KBioGR_002508, SPECTRUM1505253, SPBio_001144, 365602_ALDRICH, STOCK1N-06056, UPCMLD-DP085:001

Molecular Formula:	C₁₉H₂₃NO₄	Molecular Weight:	329.390220 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: INYYVPJSBIVGPH-QHRIQVFBSA-N

• Sodium Valproate

IUPAC Name: sodium 2-propylpentanoate | CAS Registry Number: 1069-66-5
Synonyms: Sodium valproate, Valproate sodium, Depakene, Epilim, Convulex, Eurekene, Labazene, Orfiril, Valerin, Natrium valproat, Selenica, Sodium 2-propylpentanoate, Valproic acid sodium salt, Dipropylacetate sodium, Sodium dipropylacetate, Depakene (TN), Selenica (TN), Sodium bispropylacetate, Valproic acid sodium, Valproinsaeure, natrium

Molecular Formula:	C₈H₁₅NaO₂	Molecular Weight:	166.193270 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AEQFSUDEHCCHBT-UHFFFAOYSA-M

• Tanshinone IIA

IUPAC Name: 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione | CAS Registry Number: 568-72-9
Synonyms: Tanshinon II, Tanshinone B, Tanshinone II, Dan Shen Ketone, Tanshinone ?A, tanshinone II A, Ambap896, BSPBio_001597, BSPBio_002426, KBioGR_000317, KBioSS_000317, MLS001048863, SPECTRUM1505824, KBio2_000317, KBio2_002885, KBio2_005453, KBio3_000633, KBio3_000634, NSC686519, AIDS150197

Molecular Formula:	C₁₉H₁₈O₃	Molecular Weight:	294.344420 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: HYXITZLLTYIPOF-UHFFFAOYSA-N

• Tetraethyl thiuram disulfide

IUPAC Name: diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate | CAS Registry Number: 97-77-8
Synonyms: disulfiram, Antabuse, Alcophobin, Anticol, Teturam, Tetraethylthiuram disulfide, Dicupral, Antabus, Esperal, Refusal, Ethyldithiurame, Antietanol, Antivitium, Thiuranide, Abstensil, Antaethyl, Contralin, Tetradine, Tetraetil, Teturamin

Molecular Formula:	C₁₀H₂₀N₂S₄	Molecular Weight:	296.539200 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: AUZONCFQVSMFAP-UHFFFAOYSA-N

• Tetrahydrofuran

IUPAC Name: oxolane | CAS Registry Number: 109-99-9
Synonyms: Furanidine, TETRAHYDROFURAN, Oxolane, Butylene oxide, Oxacyclopentane, Hydrofuran, Furan, tetrahydro-, Tetramethylene oxide, Diethylene oxide, 1,4-Epoxybutane, Tetraidrofurano, Agrisynth THF, Tetrahydrofuraan, Cyclotetramethylene, Tetrahydrofuranne, Cyclotetramethylene oxide, Polytetrahydrofuran, Butane, 1,4-epoxy-, Tetrahydrofuraan [Dutch], Tetraidrofurano [Italian]

Molecular Formula:	C₄H₈O	Molecular Weight:	72.105720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: WYURNTSHIVDZCO-UHFFFAOYSA-N

• Tetraphenylbenzidine

IUPAC Name: N,N-di(phenyl)-4-[4-(N-phenylanilino)phenyl]aniline | CAS Registry Number: 15546-43-7
Synonyms: Tetra-N-phenylbenzidine, 658812_ALDRICH, N,N,N',N'-Tetraphenylbenzidine, N,N,N1,N1-Tetraphenylbenzidine, EINECS 239-599-0, BAS 00295759, ST5221850, N,N,N',N'-Tetraphenyl(1,1'-biphenyl)-4,4'-diamine, (1,1'-Biphenyl)-4,4'-diamine, N,N,N',N'-tetraphenyl-, N*4*,N*4*,N*4'*,N*4'*-Tetraphenyl-biphenyl-4,4'-diamine, TPB

Molecular Formula:	C₃₆H₂₈N₂	Molecular Weight:	488.620920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DCZNSJVFOQPSRV-UHFFFAOYSA-N

• Thidiazuron

IUPAC Name: 1-phenyl-3-(thiadiazol-5-yl)urea | CAS Registry Number: 51707-55-2
Synonyms: Defolit, Dropp, THIDIAZURON, Caswell No. 659A, PS2044_SUPELCO, Thidiazuron [ANSI:BSI:ISO], P6186_SIGMA, 45686_RIEDEL, EINECS 257-356-7, EPA Pesticide Chemical Code 120301, CID40087, BRN 1078092, N-Phenyl-N'-1,2,3-thiazol-5-ylurea, 1-Phenyl-3-(1,2,3-thiadiazol-5-yl)urea, ZINC00073715, SN 49537, N-Phenyl-N'-1,2,3-thiadiazol-5-ylurea, (N-1,2,3-Thiadiazolyl-5)-N'-phenylurea, N-Phenyl-N'-1,2,3-thiadiazol-5-yl-urea, NCGC00160490-01

Molecular Formula:	C₉H₈N₄OS	Molecular Weight:	220.251020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: HFCYZXMHUIHAQI-UHFFFAOYSA-N

• 1,3-Bis(2,4-diaminophenoxy)propane hydrochloride

IUPAC Name: 4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine;tetrahydrochloride | CAS Registry Number: 74918-21-1
Synonyms: 1,3-BIS(2,4-DIAMINOPHENOXY)PROPANE TETRAHYDROCHLORIDE, 1,3-Bis(2,4-diaminophenoxy)propane 4HCl, 4,4'-(Propane-1,3-diylbis(oxy))bis(benzene-1,3-diamine) tetrahydrochloride, SureCN1426505, KSC377C6P, CTK2H7167, MolPort-006-138-443, EINECS 278-022-7, ANW-73006, AKOS015895592, AG-G-98200, AK109178, I717, FT-0657692, ST51052907, A838262, 4,4'-(Propane-1,3-diylbis(oxy))bisbenzene-1,3-diamine tetrahydrochloride, 4-[3-(2,4-diaminophenoxy)propoxy]benzene-1,3-diamine tetrahydrochloride, 1,3-Benzenediamine,4,4'-[1,3-propanediylbis(oxy)]bis-, tetrahydrochloride (9CI);, 4-[3-[2,4-bis(azanyl)phenoxy]propoxy]benzene-1,3-diamine tetrahydrochloride

Molecular Formula:	C₁₅H₂₄Cl₄N₄O₂	Molecular Weight:	434.188660 [g/mol]
H-Bond Donor:	8	H-Bond Acceptor:	6

InChIKey: UXPUOLAAWYPPLE-UHFFFAOYSA-N

• 5-Amino-6-chloro-o-cresol

IUPAC Name: 3-amino-2-chloro-6-methylphenol | CAS Registry Number: 84540-50-1
Synonyms: 3-amino-2-chloro-6-methylphenol, 3-Amino-2-chlor-6-methylphenol, 2-Chloro-4-methyl-3-hydroxyaniline, 2-Methyl-5-Amino-6-Chlorophenol, 5-Amino-6-Chloro-2-Methylphenol, 4-Amino-3-chloro-2-hydroxytoluene, 6-CHLORO-5-AMINO-O-CRESOL, SBB058987, AG-H-37786, 2-CHLORO-3-AMINO-6-METHYLPHENOL, ZINC02243463, PubChem1479, ACMC-209pve, AC1L4IEM, SureCN94507, UNII-8077WHL3XK, KSC652M0N, CTK5F2606, MolPort-001-768-711, ACT07474

Molecular Formula:	C₇H₈ClNO	Molecular Weight:	157.597520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: XYRDGCCCBJITBH-UHFFFAOYSA-N

• 2-Amino-4-nitro-N-(2-hydroxyethyl)aniline

IUPAC Name: 2-(2-amino-4-nitroanilino)ethanol | CAS Registry Number: 56932-44-6
Synonyms: HC Yellow no. 5, 418935_ALDRICH, 2-(2-Amino-4-nitroanilino)ethanol, EINECS 260-450-0, 2-((2-Amino-4-nitrophenyl)amino)ethanol, Ethanol, 2-((2-amino-4-nitrophenyl)amino)-, N1-(2-Hydroxyethyl)-4-nitro-o-phenylenediamine, N'-(2-Hydroxyethyl)-4-nitro-ortho-phenylenediamine

Molecular Formula:	C₈H₁₁N₃O₃	Molecular Weight:	197.191240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: OWMQBFHMJVSJSA-UHFFFAOYSA-N

• 2-Phenylacrylic acid

IUPAC Name: 2-phenylprop-2-enoic acid | CAS Registry Number: 492-38-6
Synonyms: Atropic acid, .alpha.-Phenyl acrylic acid, Acrylic acid, 2-phenyl-, alpha-Phenyl acrylic acid, 2-Propenoic acid, 2-phenyl-, NSC20987, Benzeneacetic acid, .alpha.-methylene-, CID68114, alpha-Toluic acid, alpha-methylene-, EINECS 207-753-6, NSC 20987, .alpha.-Toluic acid, .alpha.-methylene-, Benzeneacetic acid, alpha-methylene- (9CI)

Molecular Formula:	C₉H₈O₂	Molecular Weight:	148.158620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ONPJWQSDZCGSQM-UHFFFAOYSA-N

• 7-Amino-1,2,3,4-Tetrahydroquinoline

IUPAC Name: 1,2,3,4-tetrahydroquinolin-7-amine | CAS Registry Number: 153856-89-4
Synonyms: 7-Amino-1,2,3,4-tetrahydroquinoline, AG-E-01633, ACMC-1CAZL, SureCN1098919, Jsp002997, AGN-PC-00474Z, CTK0H3580, MolPort-003-986-474, ACT01966, ANW-47489, ZINC19726659, 1,2,3,4-tetrahydroquinolin-7-amine, AKOS006285739, AC-1372, RP21235, 7-Quinolinamine, 1,2,3,4-tetrahydro-, AK-33439, AM807107, BR-33439, KB-46033

Molecular Formula:	C₉H₁₂N₂	Molecular Weight:	148.204980 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: MAPBYCTYIMFIBU-UHFFFAOYSA-N

• 4-Iodobiphenyl

IUPAC Name: 1-iodo-4-phenylbenzene | CAS Registry Number: 1591-31-7
Synonyms: p-Iodobiphenyl, 4-Iododiphenyl, p-Phenyliodobenzene, 4-Biphenyl iodide, 4-IODOBIPHENYL, Biphenyl, 4-iodo-, 1,1'-Biphenyl, 4-iodo-, 4-Iodo-1,1'-biphenyl, Biphenyl, 4-iodo- (8CI), 637769_ALDRICH, NSC3791, CID15322, NSC 3791, EINECS 216-469-1, STK325713, ZINC00980089, AI3-15372, TL8001204, AE-848/30708050

Molecular Formula:	C₁₂H₉I	Molecular Weight:	280.104330 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: NXYICUMSYKIABQ-UHFFFAOYSA-N

• 6-Methyl-2-Bromomethyl Benzoyl Bromide

IUPAC Name: 2-(bromomethyl)-6-methylbenzoyl bromide | CAS Registry Number: 755030-83-2
Synonyms: 6-METHYL-2-BROMOMETHYLBENZOYL BROMIDE, AG-H-00963, CTK5E1645, MolPort-020-001-016, SBB069733, ZINC35635758, 2-Bromomethyl-6-methylbenzoyl Bromide, AKOS015918424, 2-(Bromomethyl)-6-methylbenzoylbromide, 6-Methyl-2-bromomethyl benzoyl bromide, 2-(bromomethyl)-6-methylbenzoyl bromide, 2-(bromomethyl)-6-methyl-benzoyl bromide, Q342, Benzoyl bromide,2-(bromomethyl)-6-methyl-, KB-199555, FT-0651763, A838437, I14-8228

Molecular Formula:	C₉H₈Br₂O	Molecular Weight:	291.967220 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: BQNHLNYNOYQQSQ-UHFFFAOYSA-N

• 6-Methoxyharmalan

IUPAC Name: 6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole | CAS Registry Number: 3589-73-9
Synonyms: 6-Methoxyharmalane, 10-Methoxyharmalan, Methoxy-6-harmalan, Prestwick_324, Prestwick0_000621, Prestwick1_000621, Prestwick2_000621, Prestwick3_000621, Oprea1_335320, BSPBio_000582, MLS002153914, M1626_SIGMA, SPBio_002801, BPBio1_000642, 1-Methyl-6-methoxy-dihydro-beta-carboline, NCGC00016633-01, NCGC00016633-02, SMR001233263, CAS-3589-73-9, LS-133491

Molecular Formula:	C₁₃H₁₄N₂O	Molecular Weight:	214.263060 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PIRYBCJVLMHZOK-UHFFFAOYSA-N

• 5-Methoxytryptamine hydrochloride

IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethylazanium | CAS Registry Number: 66-83-1
Synonyms: ZINC00057163, CID3639669

Molecular Formula:	C₁₁H₁₅N₂O+	Molecular Weight:	191.249600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: JTEJPPKMYBDEMY-UHFFFAOYSA-O

• 4-Methoxyisophthalic acid

IUPAC Name: 4-methoxybenzene-1,3-dicarboxylic acid | CAS Registry Number: 2206-43-1
Synonyms: 4-Methoxy-isophthalic acid, NSC20694, EINECS 218-618-6

Molecular Formula:	C₉H₈O₅	Molecular Weight:	196.156820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: JIICYHFLIOGGHE-UHFFFAOYSA-N

• 5-(3-Bromophenyl)-1H-tetrazole

IUPAC Name: 5-(3-bromophenyl)-2H-tetrazole | CAS Registry Number: 3440-99-1
Synonyms: ST5408781, TL8002567

Molecular Formula:	C₇H₅BrN₄	Molecular Weight:	225.045400 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: UVKPUDRFBHSFJH-UHFFFAOYSA-N

• 4-Aminodiphenylamine sulfate

IUPAC Name: 1-N-phenylbenzene-1,4-diamine; sulfuric acid | CAS Registry Number: 4698-29-7
Synonyms: p-Aminodiphenylamine sulfate, N-Phenyl-p-phenylenediamine sulfate, EINECS 225-173-1, N-Phenyl-1,4-benzenediamine sulfate, Bis(N-phenylbenzene-p-diamine) sulphate, N-Phenyl-p-phenylenediamine, hemisulfate, 1,4-Benzenediamine, N-phenyl-, sulfate (2:1), 101-54-2

Molecular Formula:	C₂₄H₂₆N₄O₄S	Molecular Weight:	466.552640 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	8

InChIKey: ZRFXOEFNFAPWJA-UHFFFAOYSA-N

• 1-Bromo-4-iodobenzene

IUPAC Name: 1-bromo-4-iodobenzene | CAS Registry Number: 589-87-7
Synonyms: p-Bromoiodobenzene, p-Iodobromobenzene, p-Bromophenyl iodide, Benzene, 1-bromo-4-iodo-, 4-BROMOIODOBENZENE, 238090_ALDRICH, NSC8033, NSC 8033, EINECS 209-662-7, BBV-080402, AI3-09032, InChI=1/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4

Molecular Formula:	C₆H₄BrI	Molecular Weight:	282.904430 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: UCCUXODGPMAHRL-UHFFFAOYSA-N

• 4-Hydroxy-5-[salicylideneamino]-2,7-naphthalenedisulfonic acid sodium salt

IUPAC Name: sodium 5-hydroxy-4-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-7-sulfonaphthalene-2-sulfonate hydrate | CAS Registry Number: 5941-07-1
Synonyms: EINECS 227-698-1, CID5748557, Sodium hydrogen 4-hydroxy-5-(salicylideneamino)naphthalene-2,7-disulphonate, 32266-60-7

Molecular Formula:	C₁₇H₁₄NNaO₉S₂	Molecular Weight:	463.414130 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	10

InChIKey: BEDIAJJRAYEWBI-TTWKNDKESA-M

• 3-Methylquinoline

IUPAC Name: 3-methylquinoline | CAS Registry Number: 612-58-8
Synonyms: 3-METHYLQUINOLINE, Quinoline, 3-methyl-, beta-Methylquinoline, 3-Methyl-1-benzazine, CCRIS 2896, 382493_ALDRICH, NSC 109149, CHEBI:20140, EINECS 210-315-7, CPD-962, BRN 0110325, c0070, NSC109149, ZINC01701249, Quinoline, 3-methyl- (7CI,8CI,9CI), LS-142038, 5-20-07-00388 (Beilstein Handbook Reference), C081194, InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H

Molecular Formula:	C₁₀H₉N	Molecular Weight:	143.185160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DTBDAFLSBDGPEA-UHFFFAOYSA-N

• 5-Methoxy-Alpha-Methyltryptamine

IUPAC Name: 1-(5-methoxy-1H-indol-3-yl)propan-2-amine hydrochloride | CAS Registry Number: 34736-04-4
Synonyms: Ambap6292, 5-Methoxy-alpha-methyltryptamine hydrochloride, LS-83211, M-3549, 5-Methoxy-alpha-methyl-tryptamine hydrochloride, DL-, INDOLE, 5-METHOXY-3-(2-AMINOPROPYL)-, HYDROCHLORIDE, 1H-Indole-3-ethanamine, 5-methoxy-alpha-methyl-, monohydrochloride, (+-)-, 1137-04-8, 64552-19-8

Molecular Formula:	C₁₂H₁₇ClN₂O	Molecular Weight:	240.729180 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: AOGUIGSAWNQBBG-UHFFFAOYSA-N

• 2-(4-Amino-2-Methyl-5-Nitrophenyl)amino]-Ethanol

IUPAC Name: 2-(4-amino-2-methyl-5-nitroanilino)ethanol | CAS Registry Number: 82576-75-8
Synonyms: 2-((4-Amino-2-methyl-5-nitrophenyl)amino)ethanol, Imexine FAA, HC Violet 1, HC Violet no. 1, SureCN111935, UNII-0R7XO4T22K, CTK8B4242, ANW-44483, AKOS015999558, AK-93493, Ethanol, 2-((4-amino-2-methyl-5-nitrophenyl)amino)-, 4-Amino-3-methyl-4-(2-hydroxyethyl)amino-6-nitrobenzene

Molecular Formula:	C₉H₁₃N₃O₃	Molecular Weight:	211.217820 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: LGZSBRSLVPLNTM-UHFFFAOYSA-N

• 3-Methylindole

IUPAC Name: 3-methyl-1H-indole | CAS Registry Number: 83-34-1
Synonyms: Skatole, Scatole, Skatol, 3-METHYLINDOLE, 3-Methyl-1H-indole, beta-Methylindole, Indole, 3-methyl-, 1H-Indole, 3-methyl-, 3 Methylindole, 3-methylindoline, methyl-3-indole, .beta.-Methylindole, 3-Methyl-4,5-benzopyrrole, 3-MI, FEMA No. 3019, CCRIS 8961, M51458_ALDRICH, HSDB 3511, MLS001332537, MLS001332538

Molecular Formula:	C₉H₉N	Molecular Weight:	131.174460 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: ZFRKQXVRDFCRJG-UHFFFAOYSA-N

• 2-Aminophenol

IUPAC Name: 2-aminophenol | CAS Registry Number: 95-55-6
Synonyms: o-Hydroxyaniline, O-AMINOPHENOL, 2-Hydroxyaniline, Fouramine OP, Benzofur GG, Phenol, o-amino-, Pelagol Grey GG, 2-Aminobenzenol, Pelagol 3GA, Phenol, 2-amino-, Nako Yellow ga, Nako Yellow 3GA, Questiomycin B, BASF ursol 3GA, ortho-aminophenol, Zoba 3GA, 2-Hydroxyanaline, o-Hydroxyphenylamine, Paradone Olive Green B, 2-Amino-1-hydroxybenzene

Molecular Formula:	C₆H₇NO	Molecular Weight:	109.125880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: CDAWCLOXVUBKRW-UHFFFAOYSA-N

• 2,6-Difluorobenzoic Acid

IUPAC Name: 2,6-difluorobenzoic acid | CAS Registry Number: 385-00-2
Synonyms: 2,6-DIFLUOROBENZOIC ACID, Benzoic acid, 2,6-difluoro-, 190039_ALDRICH, EINECS 206-856-3, CID9796, NSC126584, NSC 126584, BRN 0973774, AI3-63060, LS-36968, TL806244, ST5213952, Y16031, 3-09-00-01330 (Beilstein Handbook Reference), InChI=1/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11

Molecular Formula:	C₇H₄F₂O₂	Molecular Weight:	158.102266 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: ONOTYLMNTZNAQZ-UHFFFAOYSA-N

• 4-T-Butylcyclohexanol

IUPAC Name: 4-tert-butylcyclohexan-1-ol | CAS Registry Number: 98-52-2
Synonyms: Padaryl, 4-tert-Butylcyclohexanol, p-tert-Butylcyclohexanol, USAF DO-20, CYCLOHEXANOL, 4-tert-BUTYL-, Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-4-tert-Butylcyclohexanol, B92001_ALDRICH, trans-4-tert-butylcyclohexanol, Cyclohexanol, 4-tert-butyl-, cis-, EINECS 202-676-4, 4-tert-Butylcyclohexanol (cis?), CID7391, cis-4-tert-Butylcyclohexan-1-ol, NSC 404197, Cyclohexanol, 4-(1,1-dimethylethyl)-, cis-, BRN 1902277, EINECS 213-321-8, Cyclohexanol, 4-(1,1-dimethylethyl)-, trans-, NSC404197

Molecular Formula:	C₁₀H₂₀O	Molecular Weight:	156.265200 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N

• 5-(2-Iodophenyl)-1H-tetrazole

IUPAC Name: 5-(2-iodophenyl)-2H-tetrazole | CAS Registry Number: 73096-40-9
Synonyms: 5-(2-iodophenyl)-2H-1,2,3,4-tetrazole, AG-G-88658, T6701574, 5-(2-iodophenyl)-2H-tetrazole, ACMC-1CUOP, AC1Q4P6J, SureCN3397464, SureCN7768911, CTK5D7332, CTK7C3516, MolPort-009-072-326, 2H-Tetrazole,5-(2-iodophenyl)-, ANW-36287, AKOS015906209, AG-C-04619, KB-195656, FT-0659667, I0735, ST51051509, 5-(2-iodanylphenyl)-2H-1,2,3,4-tetrazole

Molecular Formula:	C₇H₅IN₄	Molecular Weight:	272.045870 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: BISBCDUUTDMGBR-UHFFFAOYSA-N

• 2,4-Dinitrodiphenylamine

IUPAC Name: 2,4-dinitro-N-phenylaniline | CAS Registry Number: 961-68-2
Synonyms: Serisol Yellow 2G, Supracet Yellow 3G, o,p-Dinitrodiphenylamine, Acetoquinone Yellow 5JZ, Diphenylamine, 2,4-dinitro-, C.I. Disperse Yellow 14, 2,4-Dinitro-N-phenylaniline, N-Phenyl-2,4-dinitroaniline, N-(2,4-Dinitrophenyl)aniline, Benzenamine, 2,4-dinitro-N-phenyl-, 117994_ALDRICH, 45950_RIEDEL, NSC 6150, EINECS 213-508-4, NSC6150, MolPort-000-279-541, CID13748, BRN 1996954, STK266239, ZINC03860945

Molecular Formula:	C₁₂H₉N₃O₄	Molecular Weight:	259.217560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: RHTVQEPJVKUMPI-UHFFFAOYSA-N

• 2-Cyclohexyl-4-methylphenol

IUPAC Name: 2-cyclohexyl-4-methylphenol | CAS Registry Number: 1596-09-4
Synonyms: 2-Cyclohexyl-p-cresol, p-Cresol, 2-cyclohexyl-, EINECS 216-478-0, Jsp003165, PHENOL, 2-CYCLOHEXYL-4-METHYL-, CID74134, LS-104287

Molecular Formula:	C₁₃H₁₈O	Molecular Weight:	190.281420 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: GTLMTHAWEBRMGI-UHFFFAOYSA-N