Basic information
- CAS
40616-89-5- Standard SMILES
CC[NH+](CCCCCCl)Cc1ccccc1Br.O=C([O-])C(=O)O- InChIKey
CEASOWIQADCRGT-UHFFFAOYSA-N- Molecular formula
- C16H23BrClNO4
- Average molar mass
- 408.7 g/mol
- Monoisotopic mass
- 407.0499
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-(5-chloropentyl)-N-ethyl-, oxalate
- IUPAC
- (2-bromophenyl)methyl-(5-chloropentyl)-ethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
BENZYLAMINE, o-BROMO-N-(5-CHLOROPENTYL)-N-ETHYL-, OXALATEo-Bromo-N-(5-chloropentyl)-N-ethylbenzylamine oxalate40616-89-5DTXSID60193624RefChem:328833DTXCID00116115N-[(2-Bromophenyl)methyl]-5-chloro-N-ethylpentan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
40616-89-5- PubChem CID
- 38560
- DTXSID
DTXSID60193624
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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