4-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbaldehyde
Basic information
- CAS
87896-41-1- Standard SMILES
CC1CC(C=O)Nc2ccccc2N1- InChIKey
CCASDHDUGHOAHL-UHFFFAOYSA-N- Molecular formula
- C11H14N2O
- Average molar mass
- 190.24 g/mol
- Monoisotopic mass
- 190.11061307
Names & identifiers
- Preferred name
- 4-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbaldehyde
- IUPAC
- 2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carbaldehyde
Names & synonyms
87896-41-1DTXSID7010078424-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carbaldehydeRefChem:1071070DTXCID801434688AN-202,3,4,5-Tetrahydro-4-methyl-1H-1,5-benzodiazepine-2-carboxaldehyde1H-1,5-BENZODIAZEPINE-2-CARBOXALDEHYDE, 2,3,4,5-TETRAHYDRO-4-METHYL-SCHEMBL29576846
Database identifiers
- CAS
87896-41-1- PubChem CID
- 55767
- DTXSID
DTXSID701007842
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…