N-benzyl-N-(2-bromoethyl)-2-chloroethanamine
Basic information
- CAS
5064-42-6- Standard SMILES
ClCCN(CCBr)Cc1ccccc1- InChIKey
OWWOYUNZFUZLBM-UHFFFAOYSA-N- Molecular formula
- C11H15BrClN
- Average molar mass
- 276.6 g/mol
- Monoisotopic mass
- 275.00764
Names & identifiers
- Preferred name
- N-benzyl-N-(2-bromoethyl)-2-chloroethanamine
- IUPAC
- N-benzyl-N-(2-bromoethyl)-2-chloroethanamine
Names & synonyms
5064-42-6N-benzyl-N-(2-bromoethyl)-2-chloroethanamineNCIOpen2_008861DTXSID60328999N-Benzyl-2-bromo-N-(2-chloroethyl)ethan-1-amine
Database identifiers
- CAS
5064-42-6- PubChem CID
- 416261
- DTXSID
DTXSID60328999
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 137
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Compound notes
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