Basic information
- CAS
63915-70-8- Standard SMILES
C[NH2+]CCCN1c2ccccc2NC(=O)c2ccccc21.[Cl-]- InChIKey
PFPPOKZNVNZYRS-UHFFFAOYSA-N- Molecular formula
- C17H20ClN3O
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.12949
Names & identifiers
- Preferred name
- 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(methylamino)propyl)-, monohydrochloride, hydrate
- IUPAC
- methyl-[3-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)propyl]azanium chloride
Names & synonyms
11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(3-(methylamino)propyl)-, monohydrochloride, hydrateRefChem:105739363915-70-8
Database identifiers
- CAS
63915-70-8- PubChem CID
- 45220
Properties
Computed structural properties
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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