Basic information
- CAS
32047-68-0- Standard SMILES
C[NH+](C)CCC[NH+]1Cc2ccc(Cl)cc2Nc2ccccc21.[Cl-].[Cl-]- InChIKey
KZFFWZXBTUJVSG-UHFFFAOYSA-N- Molecular formula
- C18H24Cl3N3
- Average molar mass
- 388.8 g/mol
- Monoisotopic mass
- 387.103581
Names & identifiers
- Preferred name
- 5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-3-chloro-10-(3-(dimethylamino)propyl)-, dihydrochloride
- IUPAC
- 3-(9-chloro-6,11-dihydro-5H-benzo[b][1,4]benzodiazepin-5-ium-5-yl)propyl-dimethylazanium dichloride
Names & synonyms
32047-68-05H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-3-chloro-10-(3-(dimethylamino)propyl)-, dihydrochlorideRefChem:10734893-Chloro-10-(3-(dimethylamino)propyl)-5H-dibenzo(b,e)(1,4)diazepine dihydrochloride
Database identifiers
- CAS
32047-68-0- PubChem CID
- 36040
Properties
Computed structural properties
- Topological polar surface area
- 20.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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