Basic information
- CAS
32047-74-8- Standard SMILES
CN1Cc2ccccc2N(C)c2ccccc21- InChIKey
ISNMCLQAHBYOKS-UHFFFAOYSA-N- Molecular formula
- C15H16N2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.13134852
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-5,10-dimethyl-
- IUPAC
- 5,11-dimethyl-6H-benzo[b][1,4]benzodiazepine
- English name
- 10,11-Dihydro-5,10-dimethyl-5H-dibenzo[b,e][1,4]diazepine
- Molecular formula
- C15H16N2
- Molecular weight
- 224.3
Names & synonyms
32047-74-85H-DIBENZO(b,e)(1,4)DIAZEPINE, 10,11-DIHYDRO-5,10-DIMETHYL-5,10-Dimethyl-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepineDTXSID401858655,10-dimethyl-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepineRefChem:305620DTXCID8010835610,11-Dihydro-5,10-dimethyl-5H-dibenzo[b,e][1,4]diazepineDB-2593235H-Dibenzo[b,e][1,4]diazepine, 10,11-dihydro-5,10-dimethyl-
Database identifiers
- CAS
32047-74-8- PubChem CID
- 36047
- DTXSID
DTXSID40185865- Nikkaji
- J42.191J
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Boiling point
- 364.1 · 364.1±41.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 5.59 · 5.59±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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