Benzylamine, o-bromo-N-(3-bromopropyl)-N-ethyl-, oxalate
Basic information
- CAS
40616-80-6- Standard SMILES
CC[NH+](CCCBr)Cc1ccccc1Br.O=C([O-])C(=O)O- InChIKey
XICIDAICUOWDBZ-UHFFFAOYSA-N- Molecular formula
- C14H19Br2NO4
- Average molar mass
- 425.11 g/mol
- Monoisotopic mass
- 422.96808
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-(3-bromopropyl)-N-ethyl-, oxalate
- IUPAC
- (2-bromophenyl)methyl-(3-bromopropyl)-ethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
BENZYLAMINE, o-BROMO-N-(3-BROMOPROPYL)-N-ETHYL-, OXALATEo-Bromo-N-(3-bromopropyl)-N-ethylbenzylamine oxalate40616-80-6DTXSID20193620RefChem:328826DTXCID601161113-Bromo-N-[(2-bromophenyl)methyl]-N-ethylpropan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
40616-80-6- PubChem CID
- 38542
- DTXSID
DTXSID20193620
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 242
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Compound notes
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