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Search results for: '111-84-2'
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2-(1H-Benzo[d][1,2,3]triazol-1-yl)ethanamine hydrochloride
Cas Number: 2690-84-8Formula: C8H11ClN4Molecular weight: 198.65Synonyms: 2690-84-8|2-(1H-BENZO[D][1,2,3]TRIAZOL-1-YL)ETHANAMINE HYDROCHLORIDE|2-(benzotriazol-1-yl)ethanamine...SMILES: C1=CC=C2C(=C1)N=NN2CCN.ClInChIKey: OXHKIAMMEZKUST-UHFFFAOYSA-NInChI: InChI=1S/C8H10N4.ClH/c9-5-6-12-8-4-2-1-3-7(8)10-11-12;/h1-4H,5-6,9H2;1H
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Anacardic acid
Cas Number: 16611-84-0Formula: C22H36O3Molecular weight: 348.52Synonyms: ANACARDIC ACID|16611-84-0|2-Hydroxy-6-pentadecylbenzoic acid|6-Pentadecylsalicylic acid|Hydroginkgol...SMILES: CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)OInChIKey: ADFWQBGTDJIESE-UHFFFAOYSA-NInChI: InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)
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N-(Furan-2-ylmethyl) 3-bromo-5-trifluoromethylbenzenesulfonamide
Cas Number: 951884-84-7Formula: C12H9BrF3NO3SMolecular weight: 384.2Synonyms: 951884-84-7|3-Bromo-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide|N-(Furan-2-ylmethyl) ...SMILES: C1=COC(=C1)CNS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)BrInChIKey: HRTRAIORACJKEV-UHFFFAOYSA-NInChI: InChI=1S/C12H9BrF3NO3S/c13-9-4-8(12(14,15)16)5-11(6-9)21(18,19)17-7-10-2-1-3-20-10/h1-6,17H,7H2
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(-)-Tetrabenazine
Cas Number: 1026016-84-1Formula: C19H27NO3Molecular weight: 317.429Synonyms: (3S,11bS)-tetrabenazine|1026016-84-1|(-)-tetrabenazine|Tetrabenazine, (-)-|(3S,11bS)-3-Isobutyl-9,10...SMILES: CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1=O)OC)OCInChIKey: MKJIEFSOBYUXJB-HOCLYGCPSA-NInChI: InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1
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1-methylpyrrolidin-3-amine dihydrochloride
Cas Number: 1209287-84-2 EC Number: 815-292-2Formula: C5H14Cl2N2Molecular weight: 173.08Synonyms: 1-methylpyrrolidin-3-aminedihydrochloride | KMENRFVAAKFKIM-UHFFFAOYSA-N | Q903348 | AMY5932 | 3-Amin...SMILES: CN1CCC(C1)N.Cl.ClInChIKey: KMENRFVAAKFKIM-UHFFFAOYSA-NInChI: InChI=1S/C5H12N2.2ClH/c1-7-3-2-5(6)4-7;;/h5H,2-4,6H2,1H3;2*1H
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W-84 dibromide
Cas Number: 21093-51-6Formula: C32H44Br2N4O4Molecular weight: 708.53Synonyms: J-013837 | W-84 dibromide | A815135 | N1,N6-bis(3-(1,3-dioxoisoindolin-2-yl)propyl)-N1,N1,N6,N6-tetr...SMILES: C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]InChIKey: DZRJZDQAGMZGGA-UHFFFAOYSA-LInChI: See more
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1-Methyl-1H-indazole-7-carboxylic acid methyl ester
Cas Number: 1092351-84-2Formula: C10H10N2O2Molecular weight: 190.2Synonyms: 1092351-84-2|Methyl 1-methyl-1H-indazole-7-carboxylate|methyl 1-methylindazole-7-carboxylate|1-Methy...SMILES: CN1C2=C(C=CC=C2C(=O)OC)C=N1InChIKey: ARLZANUTGUOGEG-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2/c1-12-9-7(6-11-12)4-3-5-8(9)10(13)14-2/h3-6H,1-2H3
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4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1h-indole
Cas Number: 955978-84-4Formula: C15H17BF3NO2Molecular weight: 311.107Synonyms: 955978-84-4|4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1H-indole|(2-(Triflu...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3C=C(NC3=CC=C2)C(F)(F)FInChIKey: XSXGMGRIKHCVRJ-UHFFFAOYSA-NInChI: InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)10-6-5-7-11-9(10)8-12(20-11)15(17,18)19/h5-8,20H,1-4H3
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1-(diphenylmethyl)-2-methylazetidin-3-one
Cas Number: 959062-84-1Formula: C17H17NOMolecular weight: 251.33Synonyms: 1-Diphenylmethyl-2-methyl-3-azetidone | 959062-84-1 | 1-benzhydryl-2-methylazetidin-3-one | 1-(DIPHE...SMILES: CC1C(=O)CN1C(C2=CC=CC=C2)C3=CC=CC=C3InChIKey: NKWWUKVQOATGAN-UHFFFAOYSA-NInChI: InChI=1S/C17H17NO/c1-13-16(19)12-18(13)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3
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7-fluoro-5-oxa-2-azaspiro[3.4]octane;hydrochloride
Cas Number: 2387596-84-9Synonyms: 2387596-84-9 | 7-fluoro-5-oxa-2-azaspiro[3.4]octane | hydrochloride | 7-Fluoro-5-oxa-2-azaspiro[3.4]...SMILES: C1C(COC12CNC2)F.ClInChIKey: AHZHTRQUNDSJGP-UHFFFAOYSA-NInChI: InChI=1S/C6H10FNO.ClH/c7-5-1-6(9-2-5)3-8-4-6;/h5,8H,1-4H2;1H
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lanepitant, Antagonist of NK 1 receptor
Cas Number: 170566-84-4Synonyms: AKOS040746991 | EX-A2688 | LANEPITANT | 170566-84-4 (free base) | BDBM50049319 | SCHEMBL121512 | UNI...SMILES: COc1ccccc1CN(C(=O)C)C[C@@H](Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC(CC1)N1CCCCC1InChIKey: CVXJAPZTZWLRBP-MUUNZHRXSA-NInChI: See more
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4-(HEXYLOXY)-M-ANISALDEHYDE
Cas Number: 61096-84-2Formula: C14H20O3Molecular weight: 236.314Synonyms: 4-(hexyloxy)-3-methoxybenzaldehyde|61096-84-2|4-hexoxy-3-methoxybenzaldehyde|4-(hexyloxy)-m-anisalde...SMILES: CCCCCCOC1=C(C=C(C=C1)C=O)OCInChIKey: DYJXODUYQQLNDC-UHFFFAOYSA-NInChI: InChI=1S/C14H20O3/c1-3-4-5-6-9-17-13-8-7-12(11-15)10-14(13)16-2/h7-8,10-11H,3-6,9H2,1-2H3
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4-ACETYL-3-HYDROXYPHENYL ACETATE
Cas Number: 42059-48-3Formula: C10H10O4Molecular weight: 194.189Synonyms: DTXSID30379433 | SY355719 | SCHEMBL4193452 | 4-acetyl-3-hydroxyphenyl acetate | J-514284 | (4-acetyl...SMILES: CC(=O)C1=C(C=C(C=C1)OC(=O)C)OInChIKey: XBBMROOTCQXGMR-UHFFFAOYSA-NInChI: InChI=1S/C10H10O4/c1-6(11)9-4-3-8(5-10(9)13)14-7(2)12/h3-5,13H,1-2H3
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methyl 4,5-dimethoxy-1H-indole-2-carboxylate
Cas Number: 812652-84-9Formula: C12H13NO4Molecular weight: 235.24Synonyms: methyl 4,5-dimethoxy-1H-indole-2-carboxylate | 812652-84-9 | 4,5-Dimethoxy-1H-indole-2-carboxylic ac...SMILES: COC1=C(C2=C(C=C1)NC(=C2)C(=O)OC)OCInChIKey: MSOAVNPUVRAHBX-UHFFFAOYSA-NInChI: InChI=1S/C12H13NO4/c1-15-10-5-4-8-7(11(10)16-2)6-9(13-8)12(14)17-3/h4-6,13H,1-3H3
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Methylnitrophthalimide
Cas Number: 41663-84-7Formula: C9H6N2O4Molecular weight: 206.16Synonyms: Benzenesulfonyl chloride, methoxy- | CAS-41663-84-7 | F1414-0777 | MFCD00462582 | 2-methyl-5-nitro-2...SMILES: CN1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]InChIKey: JBCHWGTZAAZJKG-UHFFFAOYSA-NInChI: InChI=1S/C9H6N2O4/c1-10-8(12)6-3-2-5(11(14)15)4-7(6)9(10)13/h2-4H,1H3
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SKLB1002
Cas Number: 1225451-84-2Formula: C13H12N4O2S2Molecular weight: 320.39Synonyms: 2-((6,7-Dimethoxyquinazolin-4-yl)thio)-5-methyl-1,3,4-thiadiazole | 6,7-dimethoxy-4-[(5-methyl-1,3,4...SMILES: CC1=NN=C(S1)SC2=NC=NC3=CC(=C(C=C32)OC)OCInChIKey: RQVGFDBMONQTBC-UHFFFAOYSA-NInChI: InChI=1S/C13H12N4O2S2/c1-7-16-17-13(20-7)21-12-8-4-10(18-2)11(19-3)5-9(8)14-6-15-12/h4-6H,1-3H3
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4-Aminocrotonic Acid Hydrochloride
Cas Number: 2126899-84-9Formula: C4H7NO2•HClMolecular weight: 137.56Synonyms: TRANS-4-AMINO-2-BUTENOIC ACID HCL | trans-4-Amino-2-butenoic Acid Hydrochloride | MFCD12923255 | 4-a...SMILES: C(C=CC(=O)O)N.ClInChIKey: ASNDYIQICTUCOY-TYYBGVCCSA-NInChI: InChI=1S/C4H7NO2.ClH/c5-3-1-2-4(6)7;/h1-2H,3,5H2,(H,6,7);1H/b2-1+;
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Allyl acetoacetate
Formula: C7H10O3Molecular weight: 142.15Synonyms: Allyl acetoacetate|1118-84-9|Allyl 3-oxobutanoate|Allylacetoacetate|(2-Propenyl) 3-oxobutanoate|Ally...SMILES: CC(=O)CC(=O)OCC=CInChIKey: AXLMPTNTPOWPLT-UHFFFAOYSA-NInChI: InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
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Fraxetin
Formula: C10H8O5Molecular weight: 208.17Synonyms: Fraxetin|574-84-5|7,8-Dihydroxy-6-methoxycoumarin|7,8-Dihydroxy-6-methoxy-2H-chromen-2-one|7,8-dihyd...SMILES: COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)OInChIKey: HAVWRBANWNTOJX-UHFFFAOYSA-NInChI: InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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beta-Cypermethrin
Cas Number: 65731-84-2Formula: C22H19Cl2NO3Molecular weight: 415.07Synonyms: 65731-84-2|alpha-cypermethrin|Beta-cypermethrin|Alphamethrin|(+/-)-Alphamethrin|ALPHACYPERMETHRIN|(1...SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)CInChIKey: KAATUXNTWXVJKI-NSHGMRRFSA-NInChI: InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
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1-(4-Bromophenyl)-3-cyano-2(1H)-pyridinone
Cas Number: 929000-84-0Formula: C12H7BrN2OMolecular weight: 275.1Synonyms: 929000-84-0|1-(4-Bromophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile|1-(4-Bromophenyl)-3-cyano-2(1...SMILES: C1=CN(C(=O)C(=C1)C#N)C2=CC=C(C=C2)BrInChIKey: ZSGIAEGBKSAEGM-UHFFFAOYSA-NInChI: InChI=1S/C12H7BrN2O/c13-10-3-5-11(6-4-10)15-7-1-2-9(8-14)12(15)16/h1-7H
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2-Chloro-4-methoxyaniline
Cas Number: 29242-84-0Formula: C7H8ClNOMolecular weight: 157.6Synonyms: 2-chloro-4-methoxyaniline|29242-84-0|2-chloro-4-methoxyphenylamine|4-amino-3-chloroanisole|Benzenami...SMILES: COC1=CC(=C(C=C1)N)ClInChIKey: LNEVUNYUJNORRV-UHFFFAOYSA-NInChI: InChI=1S/C7H8ClNO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
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5-Methoxy-2-nitrobenzonitrile
Cas Number: 38469-84-0Formula: C8H6N2O3Molecular weight: 178.1Synonyms: 5-methoxy-2-nitrobenzonitrile|38469-84-0|5-Methoxy-2-nitro-benzonitrile|MFCD09056823|Benzonitrile, 5...SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])C#NInChIKey: GCXTYFJQZDWUNU-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O3/c1-13-7-2-3-8(10(11)12)6(4-7)5-9/h2-4H,1H3
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Diethyl Phthalate Acid Ester in Methanol Certified Reference Material
Formula: C12H14O4Molecular weight: 222.24Synonyms: DIETHYL PHTHALATE|84-66-2|Ethyl phthalate|phthalic acid diethyl ester|Anozol|Diethylphthalate|Neanti...SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCCInChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-NInChI: InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
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