| 2D Structure | |
| CID | 7962 |
| Target | CYP1A2 |
| IUPAC Name | methylcyclohexane |
| InChI | InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 |
| InChI Key | UAEPNZWRGJTJPN-UHFFFAOYSA-N |
| Canonical SMILES | CC1CCCCC1 |
| Isomeric SMILES | CC1CCCCC1 |
| Molecular Formula | C7H14 |
| Molecular Weight | 98.19 |
| synonyms | ['METHYLCYCLOHEXANE', '108-87-2', 'Hexahydrotoluene', 'Cyclohexane, methyl-', 'Cyclohexylmethane', 'Toluene hexahydride', 'Hexahydroxytoluene', 'Sextone B', 'Toluene, hexahydro-', 'methyl cyclohexane', 'Metylocykloheksan', 'methyl-cyclohexane', 'HSDB 98', 'NSC 9391', 'UNII-H5WXT3SV31', 'EINECS 203-624-3', 'H5WXT3SV31', 'DTXSID0047749', 'AI3-18132', 'NSC-9391', 'DTXCID4027733', 'CHEBI:165745', 'EC 203-624-3', 'METHYLCYCLOHEXANE (USP-RS)', 'METHYLCYCLOHEXANE [USP-RS]', '1-methylcyclohexane', 'MCHX', 'TOLUENE, HEXAHYDRO', '203-624-3', 'methylcyclohexane (acgih:osha)', 'Metylocykloheksan [Polish]', 'UN2296', 'MFCD00001497', 'methycyclohexane', '2-methylcyclohexane', 'Methylcyclohexane, 99%', 'WLN: L6TJ A1', 'METHYLCYCLOHEXANE [MI]', 'METHYLCYCLOHEXANE [HSDB]', 'NSC9391', 'Tox21_303867', 'LMFA11000660', 'Methylcyclohexane, analytical standard', 'Methylcyclohexane, anhydrous, >=99%', 'AKOS015842776', 'UN 2296', 'Methylcyclohexane, ReagentPlus(R), 99%', 'NCGC00357267-01', 'CAS-108-87-2', 'FM143933', 'M0190', 'M0244', 'M0627', 'NS00002209', 'Methylcyclohexane 1000 microg/mL in Methanol', 'Methylcyclohexane [UN2296] [Flammable liquid]', 'Methylcyclohexane 100 microg/mL in Acetonitrile', 'Methylcyclohexane, spectrophotometric grade, 99%', 'A801936', 'Q419330', 'InChI=1/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H', 'Methylcyclohexane, purum, absolute, over molecular sieve (H2O <=0.005%), >=98.0% (GC)'] |
From Pubchem