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Search results for: '61165-94-4'
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Octylammonium p-toluenesulfonate
Cas Number: 61165-94-4Formula: C15H27NO3SMolecular weight: 301.44Synonyms: 61165-94-4|1-Octanamine, 4-methylbenzenesulfonate|DTXSID40820188|Octan-1-amine 4-methylbenzenesulfon...SMILES: CCCCCCCCN.CC1=CC=C(C=C1)S(=O)(=O)OInChIKey: CPQFXIQHXVODIW-UHFFFAOYSA-NInChI: InChI=1S/C8H19N.C7H8O3S/c1-2-3-4-5-6-7-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-9H2,1H3;2-5H,1H3,(H,8,9,10)
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4-bromo-2-(oxetan-3-yloxy)pyridine
Cas Number: 1823965-94-1Formula: C8H8NO2BrMolecular weight: 230.06Synonyms: 4-bromo-2-(oxetan-3-yloxy)pyridine | 1823965-94-1 | P20847SMILES: C1C(CO1)OC2=NC=CC(=C2)BrInChIKey: KNJVQWDCBNMKIL-UHFFFAOYSA-NInChI: InChI=1S/C8H8BrNO2/c9-6-1-2-10-8(3-6)12-7-4-11-5-7/h1-3,7H,4-5H2
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3-methyl-4-nitro-1H-indole
Cas Number: 134271-94-6Formula: C9H8N2O2Molecular weight: 176.18Synonyms: 3-methyl-4-nitro-1H-indole | 134271-94-6 | SCHEMBL395905 | AMY18128 | SB14928 | N17037SMILES: CC1=CNC2=C1C(=CC=C2)[N+](=O)[O-]InChIKey: JSMHPFAGQBYKJS-UHFFFAOYSA-NInChI: InChI=1S/C9H8N2O2/c1-6-5-10-7-3-2-4-8(9(6)7)11(12)13/h2-5,10H,1H3
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4-Fluorophenylmethylammonium Bromide
Cas Number: 2270172-94-4Formula: C7H9NFBrMolecular weight: 206.06Synonyms: 2270172-94-4 | 4-Fluorobenzylamine Hydrobromide | MFCD32641450 | (4-Fluorophenyl)methanamine hydrobr...SMILES: C1=CC(=CC=C1CN)F.BrInChIKey: PHIMWJYSMVBDPA-UHFFFAOYSA-NInChI: InChI=1S/C7H8FN.BrH/c8-7-3-1-6(5-9)2-4-7;/h1-4H,5,9H2;1H
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2-methylindazole-4-carboxamide
Cas Number: 2306264-94-6Formula: C9H9N3OMolecular weight: 175.19Synonyms: 2-methylindazole-4-carboxamide | 2306264-94-6 | SCHEMBL22723833 | 2-methyl-2H-indazole-4-carboxamide...SMILES: CN1C=C2C(=N1)C=CC=C2C(=O)NInChIKey: HMTNRSCZGLVGLC-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3O/c1-12-5-7-6(9(10)13)3-2-4-8(7)11-12/h2-5H,1H3,(H2,10,13)
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1-(2-fluoroethyl)azetidin-3-amine
Cas Number: 1516698-94-4Synonyms: 3-Azetidinamine, 1-(2-fluoroethyl)-, dihydrochloride | 1516698-94-4 | SB13575 | 1-(2-Fluoroethyl)aze...SMILES: C1C(CN1CCF)N.Cl.ClInChIKey: VRDJHKTWBIHJFC-UHFFFAOYSA-NInChI: InChI=1S/C5H11FN2.2ClH/c6-1-2-8-3-5(7)4-8;;/h5H,1-4,7H2;2*1H
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1-(4-methylpiperazin-1-yl)cyclopropanecarboxylic acid;dihydrochloride
Cas Number: 2484905-94-2Synonyms: D79087 | 1-(4-Methylpiperazin-1-yl)cyclopropanecarboxylic acid diHCl | 1-(4-METHYLPIPERAZIN-1-YL)CYC...SMILES: CN1CCN(CC1)C2(CC2)C(=O)O.Cl.ClInChIKey: PJWJSGAKAWCFQP-UHFFFAOYSA-NInChI: InChI=1S/C9H16N2O2.2ClH/c1-10-4-6-11(7-5-10)9(2-3-9)8(12)13;;/h2-7H2,1H3,(H,12,13);2*1H
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methyl 3-cyclopropyl-3-hydroxy-propanoate
Cas Number: 306773-94-4Formula: C7H12O3Molecular weight: 144.17Synonyms: methyl 3-cyclopropyl-3-hydroxypropanoate | 306773-94-4 | SCHEMBL6681095 | E88361 | EN300-1851589 | 3...SMILES: COC(=O)CC(C1CC1)OInChIKey: AHZTZDNJDVAMPU-UHFFFAOYSA-NInChI: InChI=1S/C7H12O3/c1-10-7(9)4-6(8)5-2-3-5/h5-6,8H,2-4H2,1H3
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2-amino-4-bromo-3-chloro-6-fluoro-benzonitrile
Cas Number: 2250339-94-5Formula: C7H3N2FClBrMolecular weight: 249.47Synonyms: 2-amino-4-bromo-3-chloro-6-fluoro-benzonitrile | 2250339-94-5 | 2-Amino-4-bromo-3-chloro-6-fluoroben...SMILES: C1=C(C(=C(C(=C1Br)Cl)N)C#N)FInChIKey: WTEVGNNNPFJCHX-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrClFN2/c8-4-1-5(10)3(2-11)7(12)6(4)9/h1H,12H2
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5-bromo-4-chloro-6-methylthieno[2,3-d]pyrimidine
Cas Number: 1388892-94-1Formula: C7H4BrClN2SMolecular weight: 263.54Synonyms: 5-bromo-4-chloro-6-methylthieno[2,3-d]pyrimidine | 1388892-94-1 | SCHEMBL10325524 | MFCD22987600 | B...SMILES: CC1=C(C2=C(S1)N=CN=C2Cl)BrInChIKey: DJIDMQBJWKUZRQ-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrClN2S/c1-3-5(8)4-6(9)10-2-11-7(4)12-3/h2H,1H3
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4-Cyclopropylaniline hydrochloride
Cas Number: 1588440-94-1Formula: C9H12ClNMolecular weight: 169.65Synonyms: 4-Cyclopropylaniline hydrochloride|1588440-94-1|4-cyclopropylaniline;hydrochloride|4-CYCLOPROPYLANIL...SMILES: C1CC1C2=CC=C(C=C2)N.ClInChIKey: RNBSVMVXEJNTQZ-UHFFFAOYSA-NInChI: InChI=1S/C9H11N.ClH/c10-9-5-3-8(4-6-9)7-1-2-7;/h3-7H,1-2,10H2;1H
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2-(4-CHLOROPHENYLSULFONYL)ACETAMIDE
Cas Number: 36967-94-9Formula: C8H8ClNO3SMolecular weight: 233.675Synonyms: 2-[(4-chlorophenyl)sulfonyl]acetamide|36967-94-9|2-(4-chlorophenyl)sulfonylacetamide|2-(4-chlorobenz...SMILES: C1=CC(=CC=C1S(=O)(=O)CC(=O)N)ClInChIKey: VWTPVZIHFJROMP-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClNO3S/c9-6-1-3-7(4-2-6)14(12,13)5-8(10)11/h1-4H,5H2,(H2,10,11)
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(S)-3-(4-(Trifluoromethyl)phenyl)morpholine
Cas Number: 1213924-94-7 EC Number: 881-387-0Formula: C11H12NOF3Molecular weight: 231.21Synonyms: SCHEMBL17524747 | 1213924-94-7 | MFCD11016406 | D84870 | A930603 | AS-79643 | (3S)-3-[4-(trifluorome...SMILES: C1COCC(N1)C2=CC=C(C=C2)C(F)(F)FInChIKey: CKCJOQMDMYPVKX-SNVBAGLBSA-NInChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-16-6-5-15-10/h1-4,10,15H,5-7H2/t10-/m1/s1
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3-Bromo-4-iodobenzonitrile
Cas Number: 1000577-94-5Formula: C7H3BrINMolecular weight: 307.9Synonyms: 3-Bromo-4-iodobenzonitrile|1000577-94-5|Benzonitrile, 3-bromo-4-iodo-|MFCD09800817|SCHEMBL171636|DTX...SMILES: C1=CC(=C(C=C1C#N)Br)IInChIKey: COMRZEYMBSUAGN-UHFFFAOYSA-NInChI: InChI=1S/C7H3BrIN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H
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4-[(2-Phenylquinazolin-4-yl)amino]phenol
Cas Number: 54665-94-0Formula: C20H15N3OMolecular weight: 313.4Synonyms: 4-[(2-phenylquinazolin-4-yl)amino]phenol | Oprea1_788525 | MLS001196029 | C20H15N3O | DTXSID80127429...SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC=C(C=C4)OInChIKey: HIKSDBXOPYKUQF-UHFFFAOYSA-NInChI: InChI=1S/C20H15N3O/c24-16-12-10-15(11-13-16)21-20-17-8-4-5-9-18(17)22-19(23-20)14-6-2-1-3-7-14/h1-13,24H,(H,21,22,23)
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methyl trans-4-acetylcyclohexanecarboxylate
Cas Number: 183996-94-3Formula: C10H16O3Molecular weight: 184.23Synonyms: methyl 4-acetylcyclohexanecarboxylate | trans-methyl 4-acetylcyclohexanecarboxylate | 183996-94-3 | ...SMILES: CC(=O)C1CCC(CC1)C(=O)OCInChIKey: FVKWOWXKTBIIJU-UHFFFAOYSA-NInChI: InChI=1S/C10H16O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h8-9H,3-6H2,1-2H3
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Higenamine hydrochloride
Cas Number: 11041-94-4Formula: C16H17NO3.HClMolecular weight: 307.77Synonyms: Higenamine hydrochloride|11041-94-4|Higenamine HCl|Demethyl|6,7-dihydroxy-1-(4-hydroxybenzyl)-1,2,3,...SMILES: C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O.ClInChIKey: SWWQQSDRUYSMAR-UHFFFAOYSA-NInChI: InChI=1S/C16H17NO3.ClH/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14;/h1-4,8-9,14,17-20H,5-7H2;1H
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2-(4-Hydroxyphenyl)ethanol
Formula: HOC6H4CH2CH2OHMolecular weight: 138.16Synonyms: 2-(4-Hydroxyphenyl)ethanol|Tyrosol|501-94-0|4-(2-Hydroxyethyl)phenol|4-Hydroxyphenethyl alcohol|4-Hy...SMILES: C1=CC(=CC=C1CCO)OInChIKey: YCCILVSKPBXVIP-UHFFFAOYSA-NInChI: InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2
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3,5-Difluoro-4-carboxyphenylboronic acid
Cas Number: 1029716-94-6Formula: C7H5BF2O4Molecular weight: 201.9Synonyms: 1029716-94-6|4-Borono-2,6-difluorobenzoic acid|3,5-Difluoro-4-carboxyphenylboronic acid|MFCD13181636...SMILES: B(C1=CC(=C(C(=C1)F)C(=O)O)F)(O)OInChIKey: AWIXNRNZROUJQB-UHFFFAOYSA-NInChI: InChI=1S/C7H5BF2O4/c9-4-1-3(8(13)14)2-5(10)6(4)7(11)12/h1-2,13-14H,(H,11,12)
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4,4'-Azoxyanisole
Formula: C14H14N2O3Molecular weight: 258.27Synonyms: DTXSID5024554 | p,p'-Dimethoxyazoxybenzene | (Z)-4,4'-dimethoxyazoxybenzene | 4,4'-DIMETHOXYAZOXYBEN...SMILES: COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]InChIKey: KAEZRSFWWCTVNP-UHFFFAOYSA-NInChI: InChI=1S/C14H14N2O3/c1-18-13-7-3-11(4-8-13)15-16(17)12-5-9-14(19-2)10-6-12/h3-10H,1-2H3
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Isonipecotic acid, Agonist of GABA A receptor α1 subunit;Agonist of GABA A receptor α2 subunit;Agonist of GABA A receptor α3 subunit;Agonist of GABA A receptor α4 subunit;Agonist of GABA A receptor α5 subunit;Agonist of GABA A receptor α6 subunit;Antagonist of GABA A recept
Formula: C6H11NO2Molecular weight: 129.16Synonyms: Isonipecotic acid|Piperidine-4-carboxylic acid|498-94-2|4-Piperidinecarboxylic acid|4-Carboxypiperid...SMILES: C1CNCCC1C(=O)OInChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-NInChI: InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
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NGD 94-1, Antagonist of D 4 receptor
Cas Number: 178928-68-2Formula: C18H20N6Molecular weight: 320.39Synonyms: DTXSID40170615 | NGD 94-1 (dimaleate) | 2-Phenyl-4(5)-((4-(2-pyrimidinyl)-piperazin-1-yl)methyl)imid...SMILES: C1CN(CCN1CC2=CN=C(N2)C3=CC=CC=C3)C4=NC=CC=N4InChIKey: OTVQCHUIPJYASM-UHFFFAOYSA-NInChI: InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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Methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate
Cas Number: 120935-94-6Formula: C8H10BrNO2Molecular weight: 232.08Synonyms: methyl 4-bromo-2,5-dimethyl-1H-pyrrole-3-carboxylate|120935-94-6|SCHEMBL6468905|DTXSID10384005|VEA93...SMILES: CC1=C(C(=C(N1)C)Br)C(=O)OCInChIKey: LGBDYFSMZPRVLL-UHFFFAOYSA-NInChI: InChI=1S/C8H10BrNO2/c1-4-6(8(11)12-3)7(9)5(2)10-4/h10H,1-3H3
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p-Anisidine
Cas Number: 104-94-9Formula: C7H9NOMolecular weight: 123.15Synonyms: p-Anisidine|4-Methoxyaniline|104-94-9|4-Anisidine|4-Methoxybenzenamine|4-Aminoanisole|p-Methoxyanili...SMILES: COC1=CC=C(C=C1)NInChIKey: BHAAPTBBJKJZER-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
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