| 2D Structure | |
| CID | 6561 |
| Target | CYP2C19 |
| IUPAC Name | 2-methylpropanal |
| InChI | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 |
| InChI Key | AMIMRNSIRUDHCM-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)C=O |
| Isomeric SMILES | CC(C)C=O |
| Molecular Formula | C4H8O |
| Molecular Weight | 72.11 |
| synonyms | ['ISOBUTYRALDEHYDE', '78-84-2', 'Isobutylaldehyde', '2-Methylpropionaldehyde', 'Isobutyric aldehyde', 'Valine aldehyde', '2-Methyl-1-propanal', 'Isopropylaldehyde', 'Isopropylformaldehyde', 'Isobutaldehyde', 'Isobutyraldehyd', 'Methylpropanal', 'Isobutyral', 'Methyl propanal', 'Isobutyryl aldehyde', 'Isopropyl aldehyde', 'alpha-Methylpropionaldehyde', 'Isopropyl formaldehyde', 'isobutyl aldehyde', 'Propionaldehyde, 2-methyl-', 'ISO-BUTYRALDEHYDE', 'FEMA No. 2220', 'Isobutyraldehyde (natural)', 'NCI-C60968', 'NSC 6739', 'CCRIS 1101', 'HSDB 614', 'EINECS 201-149-6', 'UNII-C42E28168L', 'CHEBI:48943', 'AI3-15311', 'NSC-6739', 'C42E28168L', 'ISOPROPYLCARBOXALDEHYDE', 'EC 201-149-6', 'ISOBUTYRALDEHYDE (USP-RS)', 'ISOBUTYRALDEHYDE [USP-RS]', 'dimethylacetaldehyde', '2-FORMYLPROPANE', '201-149-6', '2-Methylpropanal', 'Isobutanal', 'Propanal, 2-methyl-', '.alpha.-Methylpropionaldehyde', 'iso-C3H7CHO', '2-methyl-propionaldehyde', '2-METHYL-PROPANAL', 'DTXSID9021635', 'Isobutyraldehyde, 98%', 'Isobutyraldehyd [Czech]', 'isobutyl aldehy de', 'Butyric iso aldehyde', 'MFCD00006980', 'UN2045', 'isobutyraldehye', 'i-butyraldehyde', 'iso-butanal', 'i-butanal', '2-methypropanal', 'so-Butyl aldehyde', 'iso-butyl aldehyde', '2-methyl-propan-1-one', 'Isobutyraldehyde, >=99%', 'alpha -methylpropionaldehyde', 'Isobutyraldehyde, redistilled', 'ISOBUTYRALDEHYDE [MI]', 'Isobutyraldehyde, dry, 98%', '2-methylpropanal (isobutanal)', 'ISOBUTYRALDEHYDE [FCC]', 'WLN: VHY1&1', 'ISOBUTYRALDEHYDE [FHFI]', 'ISOBUTYRALDEHYDE [HSDB]', 'DTXCID201635', 'CHEMBL1404017', 'Isobutyraldehyde, >=98%, FG', 'FEMA 2220', 'Isobutyraldehyde 2-Methylpropanal', 'Isobutyraldehyde, >=98%, FCC', 'NSC6739', 'AAA07884', 'Isobutyraldehyde or isobutyl aldehyde', 'Isobutyraldehyde, analytical standard', 'Tox21_200024', 'BBL034648', 'STL264210', 'Isobutyraldehyde, natural, 96%, FG', 'AKOS000119887', 'UN 2045', 'CAS-78-84-2', 'NCGC00091788-01', 'NCGC00091788-02', 'NCGC00257578-01', 'BP-20619', 'Isobutyraldehyde, redistilled, >=99.5%', 'I0101', 'NS00004602', 'EN300-19563', 'C22919', 'A839508', 'Q418164', 'InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H', 'F2190-0633', 'Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid]'] |
From Pubchem