Basic information
- CAS
2849-08-3- Standard SMILES
[Cl-].c1ccc2c(c1)N=C([NH+]1CCCC1)Nc1ccccc1-2- InChIKey
JRJJNOZBFSJAID-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3
- Average molar mass
- 299.8 g/mol
- Monoisotopic mass
- 299.1189253
Names & identifiers
- Preferred name
- 5H-Dibenzo(d,f)(1,3)diazepine, 6-(1-pyrrolidinyl)-, monohydrochloride
- IUPAC
- 6-pyrrolidin-1-ium-1-yl-7H-benzo[d][1,3]benzodiazepine chloride
Names & synonyms
6-(1-Pyrrolidinyl)-5H-dibenzo(d,f)(1,3)diazepine hydrochloride5H-DIBENZO(d,f)(1,3)DIAZEPINE, 6-(1-PYRROLIDINYL)-, MONOHYDROCHLORIDE2849-08-3RefChem:305632
Database identifiers
- CAS
2849-08-3- PubChem CID
- 17842
Properties
Computed structural properties
- Topological polar surface area
- 28.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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