Basic information
- CAS
40616-77-1- Standard SMILES
ClCCC[NH2+]Cc1ccccc1Br.[Cl-]- InChIKey
QHASOVARFVXGAL-UHFFFAOYSA-N- Molecular formula
- C10H14BrCl2N
- Average molar mass
- 299.03 g/mol
- Monoisotopic mass
- 296.96867
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-(3-chloropropyl)-, hydrochloride
- IUPAC
- (2-bromophenyl)methyl-(3-chloropropyl)azanium chloride
Names & synonyms
o-Bromo-N-(3-chloropropyl)benzylamine hydrochlorideBENZYLAMINE, o-BROMO-N-(3-CHLOROPROPYL)-, HYDROCHLORIDE40616-77-1RefChem:328827
Database identifiers
- CAS
40616-77-1- PubChem CID
- 38536
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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