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Search results for: '248-884-9'
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4-Methyl-2-nitrobenzonitrile
Cas Number: 26830-95-5 EC Number: 248-019-5Formula: C8H6N2O2Molecular weight: 162.15Synonyms: AKOS015891265 | 4-Methyl-2-nitrobenzonitrile | 4-methyl-2-nitro-benzonitrile | 4'-Bromomethyl-(1,1'-...SMILES: CC1=CC(=C(C=C1)C#N)[N+](=O)[O-]InChIKey: QGBSLPHQCUIZKK-UHFFFAOYSA-NInChI: InChI=1S/C8H6N2O2/c1-6-2-3-7(5-9)8(4-6)10(11)12/h2-4H,1H3
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2,2,4-Trimethylcyclopentanone
Cas Number: 28056-54-4Formula: C8H14OMolecular weight: 126.2Synonyms: 2,2,4-Trimethylcyclopentan-1-one | FT-0638750 | 2,2,4-TRIMETHYLCYCLOPENTANONE (5,5-D2) | SCHEMBL2904...SMILES: CC1CC(=O)C(C1)(C)CInChIKey: PJXIBUIXCXSNCM-UHFFFAOYSA-NInChI: InChI=1S/C8H14O/c1-6-4-7(9)8(2,3)5-6/h6H,4-5H2,1-3H3
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trans-4-Aminocyclohexanol
Cas Number: 27489-62-9Formula: C6H13NOMolecular weight: 115.18Synonyms: AM20070555 | EC 248-492-8 | F0001-0886 | J-514424 | trans-4-Hydroxycyclohexylamine | trans-4-hydroxy...SMILES: C1CC(CCC1N)OInChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-NInChI: InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2
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1-Pentadecene [Standard Material for GC]
Cas Number: 13360-61-7Formula: C15H30Molecular weight: 210.41Synonyms: KH577LIA74 | CHEBI:77506 | MFCD00008987 | NSC77125 | NSC-77125 | S0345 | 1-Pentadecene, 98% | Pentad...SMILES: CCCCCCCCCCCCCC=CInChIKey: PJLHTVIBELQURV-UHFFFAOYSA-NInChI: InChI=1S/C15H30/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3H,1,4-15H2,2H3
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4-Heptyloxybenzaldehyde
Cas Number: 27893-41-0Formula: C14H20O2Molecular weight: 220.31Synonyms: 4-n-Heptyloxybenzaldehyde | 4-Heptyloxybenzaldehyde | 4-HEPTYLOXY-BENZALDEHYDE | p-Heptyloxybenzalde...SMILES: CCCCCCCOC1=CC=C(C=C1)C=OInChIKey: YBCKMIZXHKVONZ-UHFFFAOYSA-NInChI: InChI=1S/C14H20O2/c1-2-3-4-5-6-11-16-14-9-7-13(12-15)8-10-14/h7-10,12H,2-6,11H2,1H3
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3,4,5-Trimethoxybenzoic acid
Formula: C10H12O5Molecular weight: 212.2Synonyms: KBio3_001180 | TRIMETHOPRIM IMPURITY J [EP IMPURITY] | Trimethylgallic acid | CHEBI:454991 | EC 204-...SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OInChIKey: SJSOFNCYXJUNBT-UHFFFAOYSA-NInChI: InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
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2-Butyloctanoic acid
Cas Number: 27610-92-0 EC Number: 248-570-1Formula: CH3(CH2)5CH[(CH2)3CH3]CO2HMolecular weight: 200.32Synonyms: 2-Butyloctanoic acid|27610-92-0|OCTANOIC ACID, 2-BUTYL-|butyloctanoic acid|5-Undecanecarboxylic acid...SMILES: CCCCCCC(CCCC)C(=O)OInChIKey: OARDBPIZDHVTCK-UHFFFAOYSA-NInChI: InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
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Coumarin 7
Cas Number: 27425-55-4 EC Number: 248-451-4Formula: C20H19N3O2Molecular weight: 333.38Synonyms: 3-(1H-Benzimidazol-2-yl)-7-(diethylamino)-2H-chromen-2-one | 3-(1H-Benzoimidazol-2-yl)-7-diethylamin...SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3InChIKey: GOLORTLGFDVFDW-UHFFFAOYSA-NInChI: InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
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4-(Diethylamino)butylamine
Cas Number: 27431-62-5Formula: C8H20N2Molecular weight: 144.26Synonyms: 8LT9SA85Z9 | GS-6067 | MFCD00014836 | STL511378 | 4-(N,N-diethylamino)-1-butanamine | 4-(Diethylamin...SMILES: CCN(CC)CCCCNInChIKey: JILXUIANNUALRZ-UHFFFAOYSA-NInChI: InChI=1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3
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3-Amino-4-pyrazolecarboxamide hemisulfate salt
Cas Number: 27511-79-1 EC Number: 248-503-6Formula: C4H6N4O · 0.5 H2SO4Molecular weight: 175.16Synonyms: 3-Amino-1H-pyrazole-4-carboxamide Hemisulfate | 3-Amino-4-carbamoylpyrazole Hemisulfate | 3-Amino-4-...SMILES: C1=NNC(=C1C(=O)N)N.C1=NNC(=C1C(=O)N)N.OS(=O)(=O)OInChIKey: UMPKASYMNORSRO-UHFFFAOYSA-NInChI: InChI=1S/2C4H6N4O.H2O4S/c2*5-3-2(4(6)9)1-7-8-3;1-5(2,3)4/h2*1H,(H2,6,9)(H3,5,7,8);(H2,1,2,3,4)
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3-Heptenoic Acid
Cas Number: 29901-85-7Formula: C7H12O2Molecular weight: 128.17Synonyms: (E)-3-Heptenoic acid | (E)-Hept-3-enoic acid | (3E)-3-Heptenoic acid # | CHEBI:179468 | 3-Heptenoic ...SMILES: CCCC=CCC(=O)OInChIKey: BCYXFRMDZWKZSF-SNAWJCMRSA-NInChI: InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h4-5H,2-3,6H2,1H3,(H,8,9)/b5-4+
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Tyropanoic Acid
Cas Number: 27293-82-9Formula: C₁₆H₂₀I₃NO₃Molecular weight: 655.05Synonyms: EINECS 248-389-8 | Bilopac | TYROPANIC ACID | Tyropanoic acid sodium salt | Hydrocinnamic acid, 3-bu...SMILES: CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)IInChIKey: YMOXVLQZFAUUKI-UHFFFAOYSA-NInChI: InChI=1S/C15H18I3NO3/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)
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Leaf acetal
Cas Number: 28069-74-1Formula: C10H20O2Molecular weight: 172.26Synonyms: EINECS 248-817-3 | 3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)- | Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)- |...SMILES: CCC=CCCOC(C)OCCInChIKey: PAEBAEDUARAOSG-SREVYHEPSA-NInChI: InChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-
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3-Dimethylaminomethyl-aniline
Cas Number: 27958-77-6Formula: C9H14N2Molecular weight: 150.22Synonyms: 3-Amino-N,N-dimethylbenzylamine|27958-77-6|3-[(dimethylamino)methyl]aniline|3-((Dimethylamino)methyl...SMILES: CN(C)CC1=CC(=CC=C1)NInChIKey: WOJBIBHVUSZAGS-UHFFFAOYSA-NInChI: InChI=1S/C9H14N2/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7,10H2,1-2H3
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vipoglanstat, Inhibitor of mPGES1
Cas Number: 1360622-01-0Synonyms: SCHEMBL11970119 | vipoglanstat [INN] | GTPL12209 | GS248 | GS-248 | PFORUFFGGNOLPJ-QAQDUYKDSA-N | BI...SMILES: CC(C)(C)C(=O)NCc1c(c(c(cc1)Cl)Nc1nc2c(n1C)cc(c(c2)C(=O)NC1CCC(CC1)C(F)(F)F)OCC(F)F)ClInChIKey: PFORUFFGGNOLPJ-UHFFFAOYSA-NInChI: See more
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3,5,5-Trimethylhexanoic Acid
Formula: C9H18O2Molecular weight: 158.243Synonyms: DTXSID6029254 | o-fluorophenylboronic acid | (4-Ethylphenyl)Boranediol | Isononylic acid | KYOWANOIC...SMILES: CC(CC(=O)O)CC(C)(C)CInChIKey: OILUAKBAMVLXGF-UHFFFAOYSA-NInChI: InChI=1S/C9H18O2/c1-7(5-8(10)11)6-9(2,3)4/h7H,5-6H2,1-4H3,(H,10,11)
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Loxapine succinate, Serotonin 2c (5-HT2c) receptor antagonist
Cas Number: 27833-64-3Formula: C22H24ClN3O5Molecular weight: 445.9Synonyms: Loxapine succinate|27833-64-3|Loxapine succinate salt|Loxapac|Cloxazepin|Daxolin|Lederle|Loxapine (s...SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=C2C=C(C=C4)Cl.C(CC(=O)O)C(=O)OInChIKey: YQZBAXDVDZTKEQ-UHFFFAOYSA-NInChI: InChI=1S/C18H18ClN3O.C4H6O4/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;5-3(6)1-2-4(7)8/h2-7,12H,8-11H2,1H3;1-2H2,(H,5,6)(H,7,8)
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2-Amino-4-methylbenzonitrile
Cas Number: 26830-96-6 EC Number: 248-020-0Formula: C8H8N2Molecular weight: 132.16Synonyms: 2-AMINO-4-METHYLBENZONITRIL | SCHEMBL60977 | SY020331 | EINECS 248-020-0 | 2-amino-4methylbenzonitri...SMILES: CC1=CC(=C(C=C1)C#N)NInChIKey: LGNVAEIITHYWCG-UHFFFAOYSA-NInChI: InChI=1S/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H3
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trans,cis-2,6-Nonadien-1-ol
Cas Number: 28069-72-9Formula: C9H16OMolecular weight: 140.23Synonyms: 2,6-Nonadien-1-ol, (E,Z)- | FEMA No. 2780 | Violet leaf alcohol (Salt/Mix) | CHEBI:142615 | EINECS 2...SMILES: CCC=CCCC=CCOInChIKey: AMXYRHBJZOVHOL-ODYTWBPASA-NInChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8,10H,2,5-6,9H2,1H3/b4-3-,8-7+
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1,2,3,4-Tetrafluorobenzene
Cas Number: 551-62-2Formula: C6H2F4Molecular weight: 150.08Synonyms: W-109011 | Benzene,2,3,4-tetrafluoro- | AM62028 | FS-4136 | 1,2,3,4-TETRAFLUOROBENZENE | 1,2,3,4-tet...SMILES: C1=CC(=C(C(=C1F)F)F)FInChIKey: SOZFIIXUNAKEJP-UHFFFAOYSA-NInChI: InChI=1S/C6H2F4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
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5-amino-2-methyl-2,3-dihydropyridazin-3-one
Cas Number: 13506-27-9 EC Number: 831-884-3Formula: C5H7N3OMolecular weight: 125.13Synonyms: P12529 | 5-AMINO-2-METHYL-2,3-DIHYDROPYRIDAZIN-3-ONE | 3(2H)-Pyridazinone, 5-amino-2-methyl- | MFCD1...SMILES: CN1C(=O)C=C(C=N1)NInChIKey: YIAQLMJPMMISNQ-UHFFFAOYSA-NInChI: InChI=1S/C5H7N3O/c1-8-5(9)2-4(6)3-7-8/h2-3H,6H2,1H3
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Allosecurinin
Cas Number: 884-68-4Formula: C13H15NO2Molecular weight: 217.26Synonyms: ISOCONAZOLE NITRATE [WHO-DD] | NCI60_000177 | NSC 326131 | 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]p...SMILES: C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4InChIKey: SWZMSZQQJRKFBP-UHFFFAOYSA-NInChI: InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2
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4'-Methyl-4-pentylbiphenyl
Cas Number: 64835-63-8Formula: C18H22Molecular weight: 238.37Synonyms: EINECS 265-248-6 | 1-(4-methylphenyl)-4-pentylbenzene | 4'-Methyl-4-pentylbiphenyl, >/=98% | DTXSID2...SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CInChIKey: ZGBOHJUSTPZQPL-UHFFFAOYSA-NInChI: InChI=1S/C18H22/c1-3-4-5-6-16-9-13-18(14-10-16)17-11-7-15(2)8-12-17/h7-14H,3-6H2,1-2H3
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N-Phenylthiobenzamide
Cas Number: 636-04-4Formula: C13H11NSMolecular weight: 213.3Synonyms: FT-0632701 | NSC2580 | NSC-2580 | BBL000179 | N-phenylbenzenecN-Phenylthiobenzamidearbothioamide | U...SMILES: C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2InChIKey: BOQKCADLPNLYCZ-UHFFFAOYSA-NInChI: InChI=1S/C13H11NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1-10H,(H,14,15)
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