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Search results for: '2484878-87-5'
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Creatine monohydrate
Formula: C4H9N3O2 · H2OMolecular weight: 149.15Synonyms: Creatine monohydrate|6020-87-7|2-(1-Methylguanidino)acetic acid hydrate|Creatine hydrate|Creatine, m...SMILES: CN(CC(=O)O)C(=N)N.OInChIKey: MEJYXFHCRXAUIL-UHFFFAOYSA-NInChI: InChI=1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
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2,6-Dimethylaniline
Cas Number: 87-62-7Formula: C8H11NMolecular weight: 121.18Synonyms: EC 201-758-7 | 1092805-08-7 | 2,6-Dimethylaniline | 2,6-Dimethyl-aniline | CAS-87-62-7 | (2,6-dimeth...SMILES: CC1=C(C(=CC=C1)C)NInChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-NInChI: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
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2-Pentanone
Cas Number: 107-87-9Formula: C5H10OMolecular weight: 86.13Synonyms: 2-Pentanone|PENTAN-2-ONE|107-87-9|METHYL PROPYL KETONE|Ethyl acetone|Pentanone|Ethylacetone|Methyl n...SMILES: CCCC(=O)CInChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-NInChI: InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
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1,1-dioxo-tetrahydrothiopyran-4-carboxylic acid
Cas Number: 64096-87-3Formula: C6H10O4SMolecular weight: 178.206Synonyms: 64096-87-3|Tetrahydro-2H-thiopyran-4-carboxylic acid 1,1-dioxide|1,1-dioxothiane-4-carboxylic Acid|1...SMILES: C1CS(=O)(=O)CCC1C(=O)OInChIKey: RPJRJUVGGDVVDF-UHFFFAOYSA-NInChI: InChI=1S/C6H10O4S/c7-6(8)5-1-3-11(9,10)4-2-5/h5H,1-4H2,(H,7,8)
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benzyl 2,2-dimethyl-4-oxo-piperidine-1-carboxylate
Cas Number: 132644-87-2Formula: C15H19NO3Molecular weight: 261.32Synonyms: 132644-87-2 | benzyl 2,2-dimethyl-4-oxo-piperidine-1-carboxylate | SCHEMBL23123961 | MFCD30295274 | ...SMILES: CC1(CC(=O)CCN1C(=O)OCC2=CC=CC=C2)CInChIKey: UKEQVZUQAYLCSG-UHFFFAOYSA-NInChI: InChI=1S/C15H19NO3/c1-15(2)10-13(17)8-9-16(15)14(18)19-11-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
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2-Phenylpropionaldehyde dimethyl acetal
Cas Number: 90-87-9Formula: CH3CH(C6H5)CH(OCH3)2Molecular weight: 180.24Synonyms: FEMA No. 2888 | (2,2-Dimethoxy-1-methylethyl)benzene # | (1,1-Dimethoxypropan-2-yl)benzene | NCGC002...SMILES: CC(C1=CC=CC=C1)C(OC)OCInChIKey: UFOUDYPOSJJEDJ-UHFFFAOYSA-NInChI: InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3
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1-Ethoxymethyl-2-iodoimidazole
Cas Number: 146697-87-2Formula: C6H9IN2OMolecular weight: 252.1Synonyms: 1-Ethoxymethyl-2-iodoimidazole|146697-87-2|1-(Ethoxymethyl)-2-iodo-1H-imidazole|1-(ethoxymethyl)-2-i...SMILES: CCOCN1C=CN=C1IInChIKey: YISOPKRYYGYKJQ-UHFFFAOYSA-NInChI: InChI=1S/C6H9IN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
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2-Nitrophenylhydrazine Hydrochloride
Cas Number: 6293-87-4Formula: C6H7N3O2·HClMolecular weight: 189.6Synonyms: 2-Nitrophenylhydrazine Hydrochloride|6293-87-4|(2-nitrophenyl)hydrazine hydrochloride|56413-75-3|o-N...SMILES: C1=CC=C(C(=C1)NN)[N+](=O)[O-].ClInChIKey: XCUBVSAYUSFHNN-UHFFFAOYSA-NInChI: InChI=1S/C6H7N3O2.ClH/c7-8-5-3-1-2-4-6(5)9(10)11;/h1-4,8H,7H2;1H
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3,5-Dimethylisatoic anhydride
Cas Number: 56934-87-3Formula: C10H9NO3Molecular weight: 191.2Synonyms: 56934-87-3|3,5-Dimethylisatoic anhydride|6,8-dimethyl-1H-benzo[d][1,3]oxazine-2,4-dione|6,8-dimethyl...SMILES: CC1=CC(=C2C(=C1)C(=O)OC(=O)N2)CInChIKey: ADHBZSJTJJYPLQ-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO3/c1-5-3-6(2)8-7(4-5)9(12)14-10(13)11-8/h3-4H,1-2H3,(H,11,13)
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Thiamine pyrophosphate
Formula: C12H19ClN4O7P2SMolecular weight: 460.77Synonyms: cocarboxylase|Thiamine pyrophosphate|154-87-0|Thiamine pyrophosphate chloride|thiamine diphosphate|C...SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-]InChIKey: YXVCLPJQTZXJLH-UHFFFAOYSA-NInChI: InChI=1S/C12H18N4O7P2S.ClH/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21);1H
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6-bromo-1H-furo[3,4-c]pyridin-3-one
Cas Number: 1823965-87-2Formula: C7H4NO2BrMolecular weight: 214.02Synonyms: furo[3,4-c]pyridin-3(1h)-one,6-bromo- | E88308 | 6-BROMOFURO[3,4-C]PYRIDIN-3(1H)-ONE | 1823965-87-2SMILES: C1C2=CC(=NC=C2C(=O)O1)BrInChIKey: NAEOGYJCZYKXPU-UHFFFAOYSA-NInChI: InChI=1S/C7H4BrNO2/c8-6-1-4-3-11-7(10)5(4)2-9-6/h1-2H,3H2
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trans-methyl 4-phenylpyrrolidine-3-carboxylate hydrochloride
Cas Number: 2059917-87-0Formula: C12H16ClNO2Molecular weight: 241.72Synonyms: Rac-methyl (3R,4S)-4-phenylpyrrolidine-3-carboxylate hydrochloride|2059917-87-0|methyl (3S,4R)-4-phe...SMILES: COC(=O)C1CNCC1C2=CC=CC=C2.ClInChIKey: LBUJDEHQFGPGOH-VZXYPILPSA-NInChI: InChI=1S/C12H15NO2.ClH/c1-15-12(14)11-8-13-7-10(11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11+;/m0./s1
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2,4-Dichloro-3-nitrophenol
Cas Number: 38902-87-3Formula: C6H3Cl2NO3Molecular weight: 208Synonyms: 2,4-Dichloro-3-nitrophenol|38902-87-3|2,4-dichloro-3-nitro-phenol|Phenol, 2,4-dichloro-3-nitro-|2,4-...SMILES: C1=CC(=C(C(=C1O)Cl)[N+](=O)[O-])ClInChIKey: GLNRZGZHZYONRE-UHFFFAOYSA-NInChI: InChI=1S/C6H3Cl2NO3/c7-3-1-2-4(10)5(8)6(3)9(11)12/h1-2,10H
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1-BROMO-2,4-DICHLORO-3-METHYLBENZENE
Cas Number: 127049-87-0Formula: C7H5BrCl2Molecular weight: 239.93Synonyms: 1-Bromo-2,4-dichloro-3-methylbenzene|127049-87-0|3-Bromo-2,6-dichlorotoluene|Benzene, 1-bromo-2,4-di...SMILES: CC1=C(C=CC(=C1Cl)Br)ClInChIKey: DGAYFCFQKDUHQN-UHFFFAOYSA-NInChI: InChI=1S/C7H5BrCl2/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,1H3
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5H,6H,7H,8H,9H-pyrido[2,3-d]azepine
Cas Number: 1211534-87-0Formula: C9H12N2Molecular weight: 148.209Synonyms: 5H,6H,7H,8H,9H-pyrido[2,3-d]azepine|1211534-87-0|6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine|6,7,8,9-...SMILES: C1CNCCC2=C1C=CC=N2InChIKey: QIBPEANLJGMFBP-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2/c1-2-8-3-6-10-7-4-9(8)11-5-1/h1-2,5,10H,3-4,6-7H2
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(4-Benzyl-piperazin-1-yl)-acetic acid
Cas Number: 119929-87-2Formula: C13H18N2O2Molecular weight: 234.3Synonyms: (4-Benzyl-piperazin-1-yl)-acetic acid|119929-87-2|2-(4-benzylpiperazin-1-yl)acetic acid|(4-benzylpip...SMILES: C1CN(CCN1CC2=CC=CC=C2)CC(=O)OInChIKey: FNCALUISHXHMND-UHFFFAOYSA-NInChI: InChI=1S/C13H18N2O2/c16-13(17)11-15-8-6-14(7-9-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,17)
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Hexachloro-1,3-butadiene
Cas Number: 87-68-3(Methanol) EC Number: 201-765-5Formula: C4Cl6Molecular weight: 260.76Synonyms: Hexachlor-1,3-butadien | Hexachlorbutadiene | CAS-87-68-3 | Hexachloro-1,3-butadiene, PESTANAL(R), a...SMILES: C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)ClInChIKey: RWNKSTSCBHKHTB-UHFFFAOYSA-NInChI: InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10
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N,1-dimethylpyrazol-4-amine;dihydrochloride
Cas Number: 1896159-87-7Formula: C5H11Cl2N3Molecular weight: 184.06Synonyms: N,1-Dimethyl-1H-pyrazol-4-amine dihydrochloride | 1896159-87-7 | 948572-94-9 | N,1-dimethylpyrazol-4...SMILES: CNC1=CN(N=C1)C.Cl.ClInChIKey: VRWCIXDFBIGIJK-UHFFFAOYSA-NInChI: InChI=1S/C5H9N3.2ClH/c1-6-5-3-7-8(2)4-5;;/h3-4,6H,1-2H3;2*1H
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4-Bromopyridine-2-sulfonyl chloride
Cas Number: 1060808-87-8Formula: C5H3BrClNO2SMolecular weight: 256.51Synonyms: AKOS015892077 | 1060808-87-8 | FD10691 | GS2917 | 4-BROMOPYRIDINE-2-SULFONYLCHLORIDE | SCHEMBL219060...SMILES: C1=CN=C(C=C1Br)S(=O)(=O)ClInChIKey: IHFLWMCWRPGYNP-UHFFFAOYSA-NInChI: InChI=1S/C5H3BrClNO2S/c6-4-1-2-8-5(3-4)11(7,9)10/h1-3H
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Vinylcyclohexene dioxide
Formula: C8H12O2Molecular weight: 140.18Synonyms: 4-Vinylcyclohexene dioxide|106-87-6|4-Vinyl-1-cyclohexene dioxide|4-Vinylcyclohexene diepoxide|3-(ox...SMILES: C1CC2C(O2)CC1C3CO3InChIKey: OECTYKWYRCHAKR-UHFFFAOYSA-NInChI: InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
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3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
Cas Number: 956010-87-0Formula: C7H4F3N3Molecular weight: 187.12Synonyms: 3-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine|956010-87-0|3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyr...SMILES: C1=CC2=C(NN=C2N=C1)C(F)(F)FInChIKey: TVDKAMJFPZJIKB-UHFFFAOYSA-NInChI: InChI=1S/C7H4F3N3/c8-7(9,10)5-4-2-1-3-11-6(4)13-12-5/h1-3H,(H,11,12,13)
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Aleuritic Acid
Formula: C16H32O5Molecular weight: 304.42Synonyms: Aleuritic acid|533-87-9|(9R,10S)-9,10,16-trihydroxyhexadecanoic acid|DL-erythro-Aleuritic acid|Hexad...SMILES: C(CCCC(C(CCCCCCO)O)O)CCCC(=O)OInChIKey: MEHUJCGAYMDLEL-CABCVRRESA-NInChI: InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1
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N-Methyl 4-bromo-3-methylbenzenesulfonamide
Cas Number: 923148-87-2Formula: C8H10BrNO2SMolecular weight: 264.1Synonyms: 4-bromo-N,3-dimethylbenzenesulfonamide|923148-87-2|N-METHYL 4-BROMO-3-METHYLBENZENESULFONAMIDE|4-bro...SMILES: CC1=C(C=CC(=C1)S(=O)(=O)NC)BrInChIKey: VKXILHHKRMMVQB-UHFFFAOYSA-NInChI: InChI=1S/C8H10BrNO2S/c1-6-5-7(3-4-8(6)9)13(11,12)10-2/h3-5,10H,1-2H3
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2-Bromo-6-isopropoxypyridine
Cas Number: 463336-87-0Formula: C8H10BrNOMolecular weight: 216.1Synonyms: 2-BROMO-6-ISOPROPOXYPYRIDINE|463336-87-0|2-bromo-6-propan-2-yloxypyridine|2-bromo-6-isopropoxy-pyrid...SMILES: CC(C)OC1=NC(=CC=C1)BrInChIKey: RBQOILDHZGNUQT-UHFFFAOYSA-NInChI: InChI=1S/C8H10BrNO/c1-6(2)11-8-5-3-4-7(9)10-8/h3-6H,1-2H3
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