1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-
Basic information
- CAS
58414-04-3- Standard SMILES
C[C@@H]1C[C@H](C)Nc2ccccc2N1- InChIKey
QRAUFFKHTOMHCX-DTORHVGOSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Names & identifiers
- Preferred name
- 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-
- IUPAC
- (2R,4S)-2,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Names & synonyms
1H-1,5-BENZODIAZEPINE, 2,3,4,5-TETRAHYDRO-2,4-DIMETHYL-, cis-58414-04-3cis-2,4-Dimethyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepineDTXSID00207118RefChem:237170DTXCID00129609(2R,4S)-2,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Database identifiers
- CAS
58414-04-3- PubChem CID
- 42739
- DTXSID
DTXSID00207118
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…