3H-1-Benzazepin-2-amine, 4,5-dihydro-N-butyl-, monohydrochloride
Basic information
- CAS
102147-12-6- Standard SMILES
CCCC[NH2+]C1=Nc2ccccc2CCC1.[Cl-]- InChIKey
VRPPDWJNSJHECY-UHFFFAOYSA-N- Molecular formula
- C14H21ClN2
- Average molar mass
- 252.78 g/mol
- Monoisotopic mass
- 252.1393264
Names & identifiers
- Preferred name
- 3H-1-Benzazepin-2-amine, 4,5-dihydro-N-butyl-, monohydrochloride
- IUPAC
- butyl(4,5-dihydro-3H-1-benzazepin-2-yl)azanium chloride
Names & synonyms
3H-1-BENZAZEPIN-2-AMINE, 4,5-DIHYDRO-N-BUTYL-, MONOHYDROCHLORIDE102147-12-6RefChem:10689204,5-Dihydro-N-butyl-3H-1-benzazepin-2-amine hydrochloride
Database identifiers
- CAS
102147-12-6- PubChem CID
- 59235
Properties
Computed structural properties
- Topological polar surface area
- 29 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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