5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-
Basic information
- CAS
2244-74-8- Standard SMILES
CN(C)CCN1Cc2ccccc2Nc2cc(Cl)ccc21- InChIKey
JABRUTZIAKYXPW-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3
- Average molar mass
- 301.8 g/mol
- Monoisotopic mass
- 301.1345753
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-
- IUPAC
- 2-(2-chloro-6,11-dihydrobenzo[b][1,4]benzodiazepin-5-yl)-N,N-dimethylethanamine
Names & synonyms
5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-2244-74-8BRN 089474010,11-Dihydro-(5H)-dibenzo(b,e)(1,4)diazepine, 7-chloro-10-(2-(dimethylamino)ethyl)-7-Chlor-10-beta-dimethylamino-aethyl-10,11-dihydro-5H-dibenzo-(b,e)(1,4)-diazepin [German]DTXSID501769817-Chlor-10-beta-dimethylamino-aethyl-10,11-dihydro-5H-dibenzo-(b,e)(1,4)-diazepin2-(7-Chloro-5,11-dihydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N,N-dimethylethan-1-amine
Database identifiers
- CAS
2244-74-8- PubChem CID
- 16731
- DTXSID
DTXSID50176981- Nikkaji
- J74.760B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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