| 2D Structure | |
| CID | 8051 |
| Target | CYP2C19 , GLI3 , HSPB1 |
| IUPAC Name | heptan-2-one |
| InChI | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| InChI Key | CATSNJVOTSVZJV-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCC(=O)C |
| Isomeric SMILES | CCCCCC(=O)C |
| Molecular Formula | C7H14O |
| Molecular Weight | 114.19 |
| synonyms | ['2-HEPTANONE', 'Heptan-2-one', '110-43-0', 'Methyl pentyl ketone', 'Butylacetone', 'Amyl methyl ketone', 'Methyl amyl ketone', 'Methyl n-amyl ketone', 'n-Amyl methyl ketone', 'n-Pentyl methyl ketone', 'Pentyl methyl ketone', 'Methyl n-pentyl ketone', 'Ketone, methyl pentyl', 'Amyl-methyl-cetone', 'Methyl-amyl-cetone', 'Ketone C-7', 'Methyl-n-amylketone', '2-Heptanone (natural)', 'FEMA No. 2544', 'FEMA Number 2544', 'NSC 7313', 'HSDB 1122', '1-Methylhexanal', '2-Ketoheptane', '2-Oxoheptane', 'EINECS 203-767-1', 'UNII-89VVP1B008', 'BRN 1699063', 'CCRIS 8809', 'CHEBI:5672', 'DTXSID5021916', 'AI3-01230', '89VVP1B008', 'NSC-7313', 'DTXCID601916', 'EC 203-767-1', '4-01-00-03318 (Beilstein Handbook Reference)', 'methyl-n-amyl ketone', 'Methyl (n-amyl) ketone', 'methylamyl ketone', 'MnAK', '203-767-1', 'methyl n-amyl ketone (acgih:osha)', 'Heptanone', 'CHEMBL18893', 'Amyl-methyl-cetone [French]', 'Methyl-amyl-cetone [French]', 'CAS-110-43-0', 'UN1110', 'heptanone-2', 'methylpentylketone', '2-heptanal', 'MFCD00009513', '2-Heptanone, 98%', '2-Heptanone, 99%', '2-HEPTANONE [MI]', 'n-C5H11COCH3', '2-HEPTANONE [FCC]', '2-HEPTANONE [FHFI]', '2-HEPTANONE [HSDB]', 'SCHEMBL29364', '2-heptanone_GurudeebanSatyavani', 'SCHEMBL1122991', 'WLN: 5V1', '2-Heptanone, analytical standard', 'NSC7313', '2-Heptanone, natural, 98%, FG', 'ZAA58856', 'Tox21_202164', 'Tox21_302935', 'BBL011381', 'BDBM50028842', 'LMFA12000004', 'STL146482', '2-Heptanone, >=98%, FCC, FG', 'AKOS000120708', 'FM01213', 'UN 1110', 'NCGC00249180-01', 'NCGC00256611-01', 'NCGC00259713-01', 'VS-02935', 'H0037', 'NS00007136', 'EN300-21047', 'C08380', 'G84027', 'A802193', 'Q517266', 'n-Amyl methyl ketone [UN1110] [Flammable liquid]', 'InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H'] |
From Pubchem