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Alchimica s.r.o.

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Profile: Alchimica is a supplier of various chemicals for pharmaceutical, food and industrial use. We provide basic raw materials to intermediates, specialty chemicals, food ingredients, nutraceuticals and chemicals. Our active pharmaceutical ingredients include alendronate sodium, alprazolam, chlorthalidone, clopamide, bicalutamide, doxazosin, fenoxycarb, ethylmorphine, pioglitazone, mafenide acetate, loratadine, trimecaine and zaleplon.

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• (2-Pyrimidylthio)acetic acid
IUPAC Name: 2-pyrimidin-2-ylsulfanylacetic acid | CAS Registry Number: 88768-45-0
Synonyms: MLS000774942, 275530_ALDRICH, (Pyrimidin-2-ylthio)acetic acid, 2-(Carboxymethylthio)-pyrimidine, Acetic acid, (2-pyrimidinylthio)-, EINECS 289-445-1, SMR000365589, ST5142922

Molecular Formula: C6H6N2O2SMolecular Weight: 170.189040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NIEOYUNNKKAQKI-UHFFFAOYSA-N

• 3-Amino-1,2,4-Triazine
IUPAC Name: 1,2,4-triazin-3-amine | CAS Registry Number: 1120-99-6
Synonyms: 3-Amino-as-triazine, as-Triazine, 3-amino-, 3-Amino-1,2,4-triazine, 1,2,4-Triazin-3-ylamine, 1,2,4-Triazin-3-amine, 100625_ALDRICH, STOCK1S-10919, EINECS 214-324-7, ZINC01737540, CID70715, AI3-61002, LS-155018, AO-040/25080001, InChI=1/C3H4N4/c4-3-5-1-2-6-7-3/h1-2H,(H2,4,5,7

Molecular Formula: C3H4N4Molecular Weight: 96.090660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MJIWQHRXSLOUJN-UHFFFAOYSA-N

• 3-(methyl amino)-propionitrile
IUPAC Name: 3-(methylamino)propanenitrile | CAS Registry Number: 693-05-0
Synonyms: 3-(Methylamino)propionitrile, (2-Cyanoethyl)methyl amine, 3-Methylaminopropionitrile, (2-Cyanoethyl)methylamine, Propanenitrile, 3-(methylamino)-, (Methylamino)propionitrile, N-(2-Cyanoethyl)methylamine, 3-(Methylamino)propanenitrile, Propionitrile, 3-(methylamino)-, beta-(Methylamino)propionitrile, N-(beta-Cyanoethyl)methylamine, beta-Methylaminopropionitrile, 3-(N-Methylamino)propionitrile, N-Methyl-.beta.-alaninenitrile, N-Methyl-beta-alaninenitrile, N-Methyl-beta-aminopropionitrile, M27603_ALDRICH, N-.beta.-Cyanoethylmethylamine, NSC 8399, EINECS 211-740-0

Molecular Formula: C4H8N2Molecular Weight: 84.119720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N

• 1H-Benzimidazole-2-methanol
IUPAC Name: 1H-benzimidazol-2-ylmethanol | CAS Registry Number: 4856-97-7
Synonyms: 2-Benzimidazolemethanol, 1H-benzimidazol-2-ylmethanol, 158356_ALDRICH, IFLab1_004246, ZERO/006134, ALBB-000343, NSC18284, 2-(Hydroxymethyl)-1H-benzimidazole, EINECS 225-451-2, ZINC00158650, IDI1_010001, AI3-61986, InChI=1/C8H8N2O/c11-5-8-9-6-3-1-2-4-7(6)10-8/h1-4,11H,5H2,(H,9,10

Molecular Formula: C8H8N2OMolecular Weight: 148.161920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IAJLTMBBAVVMQO-UHFFFAOYSA-N

• (R)-(+)-1,2-Epoxyhexane
IUPAC Name: 2-butyloxirane | CAS Registry Number: 104898-06-8
Synonyms: 1,2-Epoxyhexane, 2-Butyloxirane, Butyloxirane, Oxirane, butyl-, 1-Hexene oxide, 1-Hexene epoxide, 1,2-Hexene oxide, HEXANE, 1,2-EPOXY-, 1436-34-6, Hexylene oxide, Epoxy-n-hexane, CCRIS 3750, EINECS 215-864-6, NSC 24268, BRN 0102568, Oxirane, 2-butyl-,(2R)-, Hexane,2-epoxy-, Hexene 1,2-oxide, Oxirane, 2-butyl-, ACMC-20dpmk

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WHNBDXQTMPYBAT-UHFFFAOYSA-N

• 4-Fluoro-1-indanone
IUPAC Name: 4-fluoro-2,3-dihydroinden-1-one | CAS Registry Number: 699-99-0
Synonyms: 4-Fluoro-indan-1-one, 4-fluoro-2,3-dihydroinden-1-one, 4-fluoro-2,3-dihydro-1H-inden-1-one, 4-Fluoro-2,3-dihydro-1-indenone, SBB067819, 1H-Inden-1-one, 4-fluoro-2,3-dihydro-, 4-fluoroindan-1-one, ACMC-20a8cy, AC1Q4LHQ, SureCN30538, 681636_ALDRICH, CTK2F2852, MolPort-001-772-792, ACT10896, AM1152, ANW-61760, ZINC02569565, 4-fluoranyl-2,3-dihydroinden-1-one, AKOS000223832, AB07191

Molecular Formula: C9H7FOMolecular Weight: 150.149683 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HOMSJDBZHCPYHY-UHFFFAOYSA-N

• 3-(2-Fluorophenyl)propionic acid
IUPAC Name: 3-(2-fluorophenyl)propanoate | CAS Registry Number: 1643-26-1
Synonyms: ZINC02574331, CID2063865

Molecular Formula: C9H8FO2-Molecular Weight: 167.157023 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GUZLQEOSDXLCKX-UHFFFAOYSA-M

• 3-(4,5-Dimethyl-2-Furanyl)Propionic Acid
IUPAC Name: 3-(4,5-dimethylfuran-2-yl)propanoic acid | CAS Registry Number: 54474-39-4
Synonyms: 3-(4,5-DIMETHYL-2-FURANYL)PROPIONIC ACID, CTK5A1197, AKOS006275298, AG-F-89169, 3-(4,5-dimethyl-2-furanyl)propanoic acid, 3-(4,5-dimethylfuran-2-yl)propanoic acid, KB-177890, FT-0613636, 3-(4,5-DIMETHYL-2-FURYL) PROPANOIC ACID, A830204

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WPKMOJBRCDNCCR-UHFFFAOYSA-N

• 3-Bromo-4-aminobenzonitrile
IUPAC Name: 4-amino-3-bromobenzonitrile | CAS Registry Number: 50397-74-5
Synonyms: 4-Amino-3-bromobenzonitrile, 642770_ALDRICH, ZINC01437414, SBB016927, CID1515279, D1244

Molecular Formula: C7H5BrN2Molecular Weight: 197.032000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: POESQIHWIIWNJL-UHFFFAOYSA-N

• 1,2-Epoxydodecane
IUPAC Name: 2-decyloxirane | CAS Registry Number: 2855-19-8
Synonyms: Oxirane, decyl-, 1-Dodecene oxide, Decyloxirane, Decyl oxirane, Dodecene epoxide, 2-Decyloxirane, Decenoxirane, 1,2-EPOXYDODECANE, Dodecane, 1,2-epoxy-, 1,2-Dodecane oxide, 1,2-Dodecene oxide, alpha-Dodecene oxide, 1,2-Epoxy-n-dodecene, 1,2-Epoxydodekan, Nedox 1200, Oxirane, 2-decyl-, 1,2-Epoxy-N-dodecane, 1,2-Epoxydodekan [Czech], CCRIS 2616, WLN: T3OTJ B10

Molecular Formula: C12H24OMolecular Weight: 184.318360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MPGABYXKKCLIRW-UHFFFAOYSA-N

• 5-bromo-thiazole-2-ylamine
IUPAC Name: 5-bromo-1,3-thiazol-2-amine | CAS Registry Number: 3034-22-8
Synonyms: 2-Amino-5-bromothiazole, 5-bromothiazol-2-amine, 5-Bromo-thiazol-2-ylamine, 5-Bromothiazol-2-ylamine, 5-Bromo-1,3-thiazol-2-amine, AC-907/25004245, 5-bromo-1,3-thiazole-2-ylamine, PubChem14121, 5-bromo-2-Thiazolamine, 2-amino-5-bromo-thiazole, aminothiazole analogue, 54, 2-Thiazolamine, 5-bromo-, AC1L2A7U, Jsp005722, CTK5I8946, MolPort-001-791-286, ACN-P000722, ACN-S003236, ACT04935, ANW-48048

Molecular Formula: C3H3BrN2SMolecular Weight: 179.038320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N

• 6-Methyl-2,3-pyridinedicarboxylic acid
IUPAC Name: 6-methylpyridine-2,3-dicarboxylic acid | CAS Registry Number: 53636-70-7
Synonyms: 6-Methylpyridine-2,3-dicarboxylic acid, 6-Methyl-2,3-pyridinedicarboxylicacid, 6-Methyl-pyridine-2,3-dicarboxylic acid, PubChem2242, AC1LBUTL, SureCN262422, 344184_ALDRICH, 2,3-Dicarboxy-6-methylpyridine, CHEMBL1650604, CTK1G9257, MolPort-001-769-370, ANW-66610, QC-654, SBB065299, AKOS005255015, AC-2957, AG-F-84535, RP24214, 2,3-Pyridinedicarboxylicacid, 6-methyl-, AK-35543

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PHQBKLKZIXCRIX-UHFFFAOYSA-N

• 2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene
IUPAC Name: 2,4-bis(chloromethyl)-1,3,5-trimethylbenzene | CAS Registry Number: 1585-17-7
Synonyms: D65607_ALDRICH, 2,4-Bis(chloromethyl)mesitylene, Bis-(chloromethyl)-mesitylene, 2,4-Bis(chloromethylmesitylene), NSC1241, AIDS017531, AIDS-017531, ST5411103, 2,4-Bis-(chloromethy6l)-1,3,5-trimethyl-benzene, Benzene, 2,4-bis(chloromethyl)-1,3,5-trimethyl-

Molecular Formula: C11H14Cl2Molecular Weight: 217.134860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JMNDJDCLOQRCJV-UHFFFAOYSA-N

• 3-Fluorophenyl Isothiocyanate
IUPAC Name: 1-fluoro-3-isothiocyanatobenzene | CAS Registry Number: 404-72-8
Synonyms: m-Fluorophenyl isothiocyanate, 3-Fluorophenyl isothiocyanate, WLN: SCNR CF, Benzene, 1-fluoro-3-isothiocyanato-, F14351_ALDRICH, 1-Fluoro-3-isothiocyanatobenzene, EINECS 206-967-7, CID9834, NSC 78432, BB_SC-1835, NSC78432, BRN 2081172, STK801393, ZINC00167163, ISOTHIOCYANIC ACID, m-FLUOROPHENYL ESTER, LS-86420, 3-12-00-01276 (Beilstein Handbook Reference)

Molecular Formula: C7H4FNSMolecular Weight: 153.176763 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HDBACITVPQEAGG-UHFFFAOYSA-N

• 3-Methylbenzofuran
IUPAC Name: 3-methyl-1-benzofuran | CAS Registry Number: 21535-97-7
Synonyms: 3-Methyl-benzofuran, 3-Methyl-1-benzofuran, Benzofuran, 3-methyl-, ZINC02557693, CID88939, EINECS 244-427-2, OR27821, S14-1347, InChI=1/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H

Molecular Formula: C9H8OMolecular Weight: 132.159220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZRXHLJNBNWVNIM-UHFFFAOYSA-N

• 4-Chloro-N-Methylaniline
IUPAC Name: 4-chloro-N-methylaniline | CAS Registry Number: 932-96-7
Synonyms: 4-Chloro-N-methylaniline, p-Chloro-N-methylaniline, Benzenamine, 4-chloro-N-methyl-, Aniline, p-chloro-N-methyl-, N-(p-Chlorobenzyl)methylamine, CCRIS 2889, 210358_ALDRICH, EINECS 213-262-8, ZINC00407013, CID70272, BRN 2205846, Aniline, p-chloro-N-methyl- (7CI,8CI), BBV-149387, LS-28178, 4-12-00-01168 (Beilstein Handbook Reference), InChI=1/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H

Molecular Formula: C7H8ClNMolecular Weight: 141.598120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XCEYKKJMLOFDSS-UHFFFAOYSA-N

• 3-bromofuran
IUPAC Name: 3-bromofuran | CAS Registry Number: 22037-28-1
Synonyms: 3-Bromofuran, Furan, 3-bromo-, .beta.-Bromofuran, 176524_ALDRICH, EINECS 244-744-6, SBB004098, ZINC02141003, InChI=1/C4H3BrO/c5-4-1-2-6-3-4/h1-3

Molecular Formula: C4H3BrOMolecular Weight: 146.970020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LXWLEQZDXOQZGW-UHFFFAOYSA-N

• 2,3-Dimethylfuran
IUPAC Name: 2,3-dimethylfuran | CAS Registry Number: 14920-89-9
Synonyms: Dimethyl furane, Dimethyl furan, Furan, dimethyl-, DIMETHYLFURAN, 2,3-Dimethyl-furan, Furan, 2,3-dimethyl-, 428469_ALDRICH, EINECS 249-235-2, CHEBI:278546, CID34337, ZINC05239577, LS-70200, InChI=1/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H, Acrylic acid, polymer with N-(butoxymethyl)acrylamide and styrene, 28802-49-5

Molecular Formula: C6H8OMolecular Weight: 96.127120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N

• 2-Fluoro-5-(trifluoromethyl)phenyl isocyanate
IUPAC Name: 1-fluoro-2-isocyanato-4-(trifluoromethyl)benzene | CAS Registry Number: 69922-27-6
Synonyms: 472190_ALDRICH, ZINC00152313, CID2733380, AC 31934

Molecular Formula: C8H3F4NOMolecular Weight: 205.109133 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: NAIKHCBDZGSGHH-UHFFFAOYSA-N

• 3-Phenoxy-1-propanol
IUPAC Name: 3-phenoxypropan-1-ol | CAS Registry Number: 6180-61-6
Synonyms: 3-Phenoxypropan-1-ol, 1-Propanol, 3-phenoxy-, NSC75459, AIDS017823, AIDS-017823, CID80319, EINECS 228-228-8, ZINC01674315, BBV-5725978, AI3-17385

Molecular Formula: C9H12O2Molecular Weight: 152.190380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AWVDYRFLCAZENH-UHFFFAOYSA-N

• 9-Methyl-5(10)-Octaline-1,6-Dione
IUPAC Name: 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-dione | CAS Registry Number: 20007-72-1
Synonyms: Wieland-Michler ketone, Miescher-Wieland ketone, Wieland-Miescher ketone, M65157_ALDRICH, MLS002694757, NSC87581, MolPort-001-781-972, CID89262, EINECS 243-463-6, SMR001560678, LT00233231, 9-(S)-Methyl-.delta.-5(10)-octalin-1,6-dione, 9(S)-Methyl-delta-5(10)-octalin-1,6-dione, (+/-)-9-Methyl-5(10)-octaline-1,6-dione, 8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 8a-methyl-3,4,7,8-tetrahydro-2H-naphthalene-1,6-quinone, 3,4,8,8a-Tetrahydro-8a-methyl-(2H,7H)naphthalene-1,6-dione, 1,6(2H,7H)-Naphthalenedione, 3,4,8,8a-tetrahydro-8a-methyl-, (+/-)-8a-Methyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione, 33878-99-8

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DNHDRUMZDHWHKG-UHFFFAOYSA-N

• 3-Butoxypropanamine
IUPAC Name: 3-butoxypropylazanium | CAS Registry Number: 16499-88-0
Synonyms: ZINC02165182, CID7004894

Molecular Formula: C7H18NO+Molecular Weight: 132.223920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LPUBRQWGZPPVBS-UHFFFAOYSA-O

• 6,7-Dihydro-4(5H)-benzofuranone
IUPAC Name: 6,7-dihydro-5H-1-benzofuran-4-one | CAS Registry Number: 16806-93-2
Synonyms: 476773_ALDRICH, ZINC00403223, 6,7-dihydro-5H-benzofuran-4-one, CID2733541, 5F-912

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DXWQOYPYNPSVRL-UHFFFAOYSA-N

• 3-Isobutyl-1-Methylxanthine
IUPAC Name: 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione | CAS Registry Number: 28822-58-4
Synonyms: IBMX, 3-Isobutyl-1-methylxanthine, isobutylmethylxanthine, Isobutyltheophylline, 1zkl, 1zkn, Methyl-isobutylxanthine, Methylisobutylxanthine, 2hd1, 2r8q, 3-Isobutyl-1-methyxanthine, 1-METHYL-3-ISOBUTYLXANTHINE, Spectrum2_001705, Spectrum2_001735, Spectrum3_001958, Spectrum4_001052, Spectrum5_001856, 3-Isobutyl 1-methylxanthine, Lopac-I-5879, MolMap_000030

Molecular Formula: C10H14N4O2Molecular Weight: 222.243760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: APIXJSLKIYYUKG-UHFFFAOYSA-N

• 5-Phenyl-5-(p-tolyl)hydantoin
IUPAC Name: 5-(4-methylphenyl)-5-phenylimidazolidine-2,4-dione | CAS Registry Number: 51169-17-6
Synonyms: MPPH, 5-(p-Methylphenyl)-5-phenylhydantoin, Oprea1_269598, 5-Phenyl-5-(4-tolyl)hydantoin, 161454_ALDRICH, 5-p-Methylphenyl-5-phenylhydantoin, NSC32105, EINECS 257-028-3, NSC 32105, SBB009945, 2,4-Imidazolidinedione, 5-(4-methylphenyl)-5-phenyl-, 5-(4-methylphenyl)-5-phenyl-2,4-imidazolidinedione, 5-(4-Methylphenyl)-5-phenylimidazolidine-2,4-dione, 2,4-Imidazolidinedione, 5-(4-methylphenyl)-5-phenyl- (9CI)

Molecular Formula: C16H14N2O2Molecular Weight: 266.294560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WPAPSGQWYNPWCZ-UHFFFAOYSA-N

• 1,6-Anhydro-β-D-Galactopyranose
IUPAC Name: 6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol | CAS Registry Number: 644-76-8
Synonyms: Leucoglucosan, Levoglucosan, Anhydro-d-mannosan, Levoglucosan (8CI), 1,6-Anhydro-beta-D-glucose, CCRIS 4273, 1,6-Anhydro-beta-glucopyranose, EINECS 207-855-0, .beta.-D-Glucopyranose, 1,6-anhydro-, NSC1376, beta-D-Glucopyranose, 1,6-anhydro-, MolPort-002-130-605, NSC 46243, CID79029, NSC46243, ZERO/000084, 1,6-Anhydro-.beta.-d-talopyranose, 1,6-Anhydro-.beta.-D-glucopyranose, NSC226600, AI3-61731

Molecular Formula: C6H10O5Molecular Weight: 162.140600 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TWNIBLMWSKIRAT-UHFFFAOYSA-N

• 4-Phenylurazole
IUPAC Name: 4-phenyl-1,2,4-triazolidine-3,5-dione | CAS Registry Number: 15988-11-1
Synonyms: Urazole, 4-phenyl-, Bicarbamimide, N-phenyl-, 4-PHENYL URAZOLE, NCIOpen2_001359, Oprea1_076157, MLS000696456, 188956_ALDRICH, Triazolidinedione Derivative 31, 1,2,4-Triazolidine-3,5-dione, 4-phenyl-, 4-Phenyl-1,2,4-triazolidine-3,5-dione, NSC93432, EINECS 240-127-0, NSC 93432, ZINC00125002, 4-phenyl-1,2,4-triazolane-3,5-dione, SMR000336567, ST013852

Molecular Formula: C8H7N3O2Molecular Weight: 177.160080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GOSUFRDROXZXLN-UHFFFAOYSA-N

• 2-Naphthyl Isocyanate
IUPAC Name: 2-isocyanatonaphthalene | CAS Registry Number: 2243-54-1
Synonyms: 2-Naphthyl isocyanate, 2-Naphthylisocyanate, beta-Naphthylisocyanate, 2-Isocyanatonaphthalene, .beta.-Naphthyl isocyanate, NAPHTHALENE, 2-ISOCYANATO-, 472514_ALDRICH, NSC 5529, EINECS 218-815-7, NSC5529, ALBB-007562, BRN 0775794, ZINC01686998, AI3-08868, BBV-080119, LS-94716, 3-12-00-03051 (Beilstein Handbook Reference)

Molecular Formula: C11H7NOMolecular Weight: 169.179380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XIXJQNFTNSQTBT-UHFFFAOYSA-N

• 4-(1h-Imidazol-1-Yl)Benzonitrile
IUPAC Name: 4-imidazol-1-ylbenzonitrile | CAS Registry Number: 25372-03-6
Synonyms: Bionet2_001535, p-Imidazol-1-ylbenzonitrile, Benzonitrile, p-imidazol-1-yl-, ZINC00158893, 4-(1H-imidazol-1-yl)benzonitrile, CID135744, STK351653, BBV-112382

Molecular Formula: C10H7N3Molecular Weight: 169.182680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYFGZFJGMRRTTP-UHFFFAOYSA-N

• 2S,3S-Phenyl glycidol
IUPAC Name: [(2S,3S)-3-phenyloxiran-2-yl]methanol | CAS Registry Number: 104196-23-8
Synonyms: (2S,3S)-Phenylglycidol, (2S,3S)-3-Phenylglycidol, 300489_ALDRICH, 3-Phenyloxiranemethanol (2S-trans)-, ZINC02539402, Oxiranemethanol, 3-phenyl-, (2S-trans)-, (2S,3S)-trans-3-Phenyloxirane-2-methanol, LS-101070, (2S,3S)-(−)-3-Phenylglycidol, (2S,3S)-(-)-2,3-Epoxy-3-phenyl-1-propanol

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PVALSANGMFRTQM-IUCAKERBSA-N

• 3-Chloropropyl 2-thienyl tetone
IUPAC Name: 4-chloro-1-thiophen-2-ylbutan-1-one | CAS Registry Number: 43076-59-1
Synonyms: 4-Chlorobutyrothiophene, .gamma.-Chloro-2-butyrothienone, 4-Chloro-2'-butyrothienone, 4-CHLOROBUTYROTHIENONE, 125016_ALDRICH, 4-Chloro-1-(2-thienyl)butan-1-one, EINECS 256-076-2, ZINC02563999, 4-Chloro-1-(2-thienyl)-1-butanone, 1-Butanone, 4-chloro-1-(2-thienyl)-, ST5308047, InChI=1/C8H9ClOS/c9-5-1-3-7(10)8-4-2-6-11-8/h2,4,6H,1,3,5H

Molecular Formula: C8H9ClOSMolecular Weight: 188.674460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NPFQPHILVMHTKP-UHFFFAOYSA-N

• (E)-3-Methylpent-2-en-4-yn-1-ol
IUPAC Name: (E)-3-methylpent-2-en-4-yn-1-ol | CAS Registry Number: 6153-06-6
Synonyms: 3-Methyl-2-penten-4-yn-1-ol, EINECS 228-169-8, 1-Pentol [UN2705] [Corrosive], CID5367604, (2E)-3-Methyl-2-penten-4-yn-1-ol, 2-PENTEN-4-YN-1-OL, 3-METHYL-, 2-Penten-4-yn-1-ol, 3-methyl-, (E)-, I14-2814, I14-2815

Molecular Formula: C6H8OMolecular Weight: 96.127120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZSJHASYJQIRSLE-GQCTYLIASA-N

• 1-Bromo-3-Buten-2-Ol
IUPAC Name: (3S)-5-bromopent-1-en-3-ol | CAS Registry Number: 64341-49-7
Synonyms: ZINC06129902

Molecular Formula: C5H9BrOMolecular Weight: 165.028360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YGIZZUXMUDVKCN-RXMQYKEDSA-N

• 2-Amino-4,6-dihydroxy-5-methylpyrimidine
IUPAC Name: 2-amino-4-hydroxy-5-methyl-1H-pyrimidin-6-one | CAS Registry Number: 55477-35-5
Synonyms: Oprea1_306579, NSC60209, CID81111, EINECS 229-597-8, EINECS 259-660-5, SBB005534, ZINC05123840, 2-Amino-5-methyl-1H,5H-pyrimidine-4,6-dione, 2-Amino-6-hydroxy-5-methyl-1H-pyrimidin-4-one, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-5-methyl-, 6627-65-2

Molecular Formula: C5H7N3O2Molecular Weight: 141.127980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: OTFOORSARCXWKK-UHFFFAOYSA-N

• 1,9-Nonanediol
IUPAC Name: nonane-1,9-diol | CAS Registry Number: 3937-56-2
Synonyms: 1,9-NONANEDIOL, Nonamethylene glycol, alpha,omega-Nonanediol, .alpha.,.omega.-Nonanediol, N29600_ALDRICH, 74270_FLUKA, NSC5416, NSC 5416, EINECS 223-517-5, SBB008482, ZINC01686934, FR-2152, AI3-06325

Molecular Formula: C9H20O2Molecular Weight: 160.253900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ALVZNPYWJMLXKV-UHFFFAOYSA-N

• 3-ao-5-methylhexanoic acid
IUPAC Name: (3R)-3-azaniumyl-5-methylhexanoate | CAS Registry Number: 3653-34-7
Synonyms: ZINC00170352

Molecular Formula: C7H15NO2Molecular Weight: 145.199500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MLYMSIKVLAPCAK-ZCFIWIBFSA-N

• 1,2-Epoxycyclopentane
IUPAC Name: (1R,5S)-6-oxabicyclo[3.1.0]hexane | CAS Registry Number: 285-67-6
Synonyms: 6-Oxabicyclo[3.1.0]hexane, ZINC01639894, ZINC01639895, InChI=1/C5H8O/c1-2-4-5(3-1)6-4/h4-5H,1-3H

Molecular Formula: C5H8OMolecular Weight: 84.116420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GJEZBVHHZQAEDB-SYDPRGILSA-N

• 2-Pyridylacetic acid hydrochloride
IUPAC Name: 2-pyridin-2-ylacetic acid hydrochloride | CAS Registry Number: 16179-97-8
Synonyms: P65606_ALDRICH, 2-Carboxymethylpyridinium chloride, 2-Pyridineacetic acid hydrochloride, 2-Pyridineacetic acid, hydrochloride, EINECS 240-316-8, NSC 83227, SBB003810, 689143-58-6

Molecular Formula: C7H8ClNO2Molecular Weight: 173.596920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: MQVISALTZUNQSK-UHFFFAOYSA-N

• 2,6-Diiodo-4-nitroaniline
IUPAC Name: 2,6-diiodo-4-nitroaniline | CAS Registry Number: 5398-27-6
Synonyms: 2,6-Diiodo-4-nitroaniliine, D123706_ALDRICH, NSC4606, CID79386, EINECS 226-429-5, SBB007537, ZINC03860381, InChI=1/C6H4I2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H

Molecular Formula: C6H4I2N2O2Molecular Weight: 389.917100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YPVYMWQYENWFAT-UHFFFAOYSA-N

• 2-Ethylthiophene
IUPAC Name: 2-ethylthiophene | CAS Registry Number: 872-55-9
Synonyms: 2-ETHYLTHIOPHENE, Thiophene, 2-ethyl-, ETHYLTHIOPHENE, E49207_ALDRICH, EINECS 212-830-2, ZINC02005192, 52006-63-0

Molecular Formula: C6H8SMolecular Weight: 112.192720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JCCCMAAJYSNBPR-UHFFFAOYSA-N

• 1,2-Epoxyhexane
IUPAC Name: (2R)-2-butyloxirane | CAS Registry Number: 1436-34-6
Synonyms: Butyloxirane, ZINC01766635, CID1560627, InChI=1/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WHNBDXQTMPYBAT-ZCFIWIBFSA-N

• 5-alpha-Thenil
IUPAC Name: 1,2-di(thiophen-2-yl)ethane-1,2-dione | CAS Registry Number: 7333-07-5
Synonyms: 2,2'-Bithenoyl, 2,2'-Thenil, Di-2-thienylethanedione, 454389_ALDRICH, 1,2-di-2-thienylethane-1,2-dione, NSC121393, STK281586, ZINC01710767, 1,2-di(2-thienyl)-1,2-ethanedione, 1,2-ethanedione, 1,2-di-2-thienyl-, 1,2-dithiophen-2-yl-ethane-1,2-dione, EU-0060514, InChI=1/C10H6O2S2/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6

Molecular Formula: C10H6O2S2Molecular Weight: 222.283440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UNWKVSDABPCZMK-UHFFFAOYSA-N

• 1,2,5,6-Diepoxycyclooctane
Synonyms: NSC117405, ZINC04261821, CID11886774

Molecular Formula: C8H12O2Molecular Weight: 140.179680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: USGYMDAUQBQWFU-KVFPUHGPSA-N

• 6-Chloro-3-methyluracil
IUPAC Name: 6-chloro-3-methyl-1H-pyrimidine-2,4-dione | CAS Registry Number: 4318-56-3
Synonyms: MLS000723901, Uracil, 6-chloro-3-methyl-, NSC55976, CID96141, NSC 55976, ZINC00153901, MS-1869, SMR000305496, 2,4(1H,3H)-Pyrimidinedione, 6-chloro-3-methyl-, 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione

Molecular Formula: C5H5ClN2O2Molecular Weight: 160.558400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SGLXGFAZAARYJY-UHFFFAOYSA-N

• 3-Amino-3-phenylpropanoic acid
IUPAC Name: 3-amino-3-phenylpropanoic acid | CAS Registry Number: 614-19-7
Synonyms: DL-beta-Phenylalanine, 3-Phenyl-beta-alanine, 3A3PPA, beta-Phenyl-beta-alanine, DL-beta-Homophenylglycine, CBMicro_033522, beta-Aminohydrocinnamic acid, 3-Amino-3-phenylpropionic acid, Benzenepropanoic acid, 3-amino-, 159492_ALDRICH, dl-3-Amino-3-phenylpropionic acid, 71552_FLUKA, ZERO/001726, -3-Amino-3-phenylpropionic acid, NSC1979, dl-.beta.-Phenyl-.beta.-alanine, Benzenepropanoic acid, beta-amino-, NSC32026, ()-3-Amino-3-phenylpropionic acid, EINECS 210-371-2

Molecular Formula: C9H11NO2Molecular Weight: 165.189140 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UJOYFRCOTPUKAK-UHFFFAOYSA-N

• 4-(1H-Imidazol-1-yl)benzoic acid
IUPAC Name: 4-imidazol-1-ylbenzoic acid | CAS Registry Number: 17616-04-5
Synonyms: SBB052662, 4-imidazolylbenzoic acid, SDCCGMLS-0066008.P001, AC1LEIBY, PubChem19564, SureCN62049, AC1Q5TX8, 4-imidazol-1-ylbenzoic acid, Oprea1_400367, 476803_ALDRICH, 4-(imidazol-1-yl)benzoic acid, Jsp003615, CTK4D6100, MolPort-000-142-589, AC1Q7363, AR-1F5603, AKOS000260659, AC-2821, AG-A-64831, AG-E-26543

Molecular Formula: C10H8N2O2Molecular Weight: 188.182720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LFIDZIWWYNTQOQ-UHFFFAOYSA-N

• 3,3'-Diindolylmethane
IUPAC Name: 3-(1H-indol-3-ylmethyl)-1H-indole | CAS Registry Number: 1968-05-4
Synonyms: 3,3'-Diindolymethane, 3,3,-diindolylmethane, 3,3'-Methylenebis-1H-indole, Spectrum2_001711, Spectrum3_001989, Spectrum5_001955, bis-1H-indol-3-ylmethane, CCRIS 5806, CBiol_001839, Oprea1_472633, Oprea1_740951, 3,3'-methylenebis(1H-indole), BSPBio_001290, BSPBio_003589, CBDivE_010856, KBioGR_000010, KBioSS_000010, SPECTRUM1505331, SPBio_001722, 1H-Indole, 3,3'-methylenebis-

Molecular Formula: C17H14N2Molecular Weight: 246.306460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VFTRKSBEFQDZKX-UHFFFAOYSA-N

• 3-Furoyl chloride
IUPAC Name: furan-3-carbonyl chloride | CAS Registry Number: 26214-65-3
Synonyms: ZINC02582853, CID2776123, 7X-0706

Molecular Formula: C5H3ClO2Molecular Weight: 130.529120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BTUIFMCWPFMNRG-UHFFFAOYSA-N

• 3-Chloro-3H-2,1-benzoxathiole-1,1-dioxide
IUPAC Name: 3-chloro-3H-benzo[c]oxathiole 1,1-dioxide | CAS Registry Number: 25595-59-9
Synonyms: alpha-Chloro-alpha,2-toluenesultone, EINECS 247-122-2, NSC111931, ST5308507, 3H-2,1-Benzoxathiole, 3-chloro-, 1,1-dioxide, .alpha.-Chloro-.alpha.-hydroxy-ortho-toluene- sulfonic acid .gamma.-sultone, InChI=1/C7H5ClO3S/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4,7

Molecular Formula: C7H5ClO3SMolecular Weight: 204.630800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LNWUNIOANJTGPG-UHFFFAOYSA-N

• 3-Nitro-Benzenesulphonyl Chloride
IUPAC Name: 3-nitrobenzenesulfonyl chloride | CAS Registry Number: 121-51-7
Synonyms: 3-Nitrobenzenesulfonyl chloride, m-Nitrophenylsulfonyl chloride, 3-Nitrophenylsulfonyl chloride, Benzenesulfonyl chloride, 3-nitro-, Benzenesulfonyl chloride, m-nitro-, 254665_ALDRICH, 3-Nitrobenzenesulphonyl chloride, NSC9806, M-NITROBENZENESULFONYL CHLORIDE, NSC 9806, EINECS 204-476-2, Benzenesulfonyl chloride, m-nitro- (8CI), TL80073503, T0516-1641

Molecular Formula: C6H4ClNO4SMolecular Weight: 221.618260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MWWNNNAOGWPTQY-UHFFFAOYSA-N


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