Basic information
- CAS
28507-28-0- Standard SMILES
BrCC[NH+](CCBr)Cc1ccccc1.[Br-]- InChIKey
TVLYNLNJLUKKAK-UHFFFAOYSA-N- Molecular formula
- C11H16Br3N
- Average molar mass
- 401.96 g/mol
- Monoisotopic mass
- 398.88329
Overview
See also: Benzylbis(2-bromoethyl)amine hydrobromide (preferred).
Names & identifiers
- Preferred name
- Benzylamine, N,N-bis(2-bromoethyl)-, hydrobromide
- IUPAC
- benzyl-bis(2-bromoethyl)azanium bromide
Names & synonyms
BENZYLAMINE, N,N-BIS(2-BROMOETHYL)-, HYDROBROMIDEbenzyl-bis(2-bromoethyl)azanium;bromideNSC 77716Di-(2-bromoethyl)-benzylamine hydrobromide
Database identifiers
- CAS
28507-28-0- PubChem CID
- 34258
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 129
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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