Basic information
- CAS
40616-85-1- Standard SMILES
CC(C)(C)[NH+](CCCCl)Cc1ccccc1Br.[Cl-]- InChIKey
ZRBLBXNMXXYROQ-UHFFFAOYSA-N- Molecular formula
- C14H22BrCl2N
- Average molar mass
- 355.1 g/mol
- Monoisotopic mass
- 353.03127
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-tert-butyl-N-(3-chloropropyl)-, hydrochloride
- IUPAC
- (2-bromophenyl)methyl-tert-butyl-(3-chloropropyl)azanium chloride
Names & synonyms
BENZYLAMINE, o-BROMO-N-tert-BUTYL-N-(3-CHLOROPROPYL)-, HYDROCHLORIDE40616-85-1RefChem:1079531o-Bromo-N-tert-butyl-N-(3-chloropropyl)benzylamine hydrochloride
Database identifiers
- CAS
40616-85-1- PubChem CID
- 38552
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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