Basic information
- CAS
40616-83-9- Standard SMILES
CC(C)[NH+](CCCCl)Cc1ccccc1Br.[Cl-]- InChIKey
YWFHTYZLTJJMMY-UHFFFAOYSA-N- Molecular formula
- C13H20BrCl2N
- Average molar mass
- 341.1 g/mol
- Monoisotopic mass
- 339.01562
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-(3-chloropropyl)-N-isopropyl-, hydrochloride
- IUPAC
- (2-bromophenyl)methyl-(3-chloropropyl)-propan-2-ylazanium chloride
Names & synonyms
BENZYLAMINE, o-BROMO-N-(3-CHLOROPROPYL)-N-ISOPROPYL-, HYDROCHLORIDE40616-83-9RefChem:1079528o-Bromo-N-(3-chloropropyl)-N-isopropylbenzylamine hydrochloride
Database identifiers
- CAS
40616-83-9- PubChem CID
- 38548
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 187
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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