Basic information
- CAS
40616-86-2- Standard SMILES
CC[NH+](CCCCCl)Cc1ccccc1Br.O=C([O-])C(=O)O- InChIKey
IGDNVHRKWXLLCR-UHFFFAOYSA-N- Molecular formula
- C15H21BrClNO4
- Average molar mass
- 394.69 g/mol
- Monoisotopic mass
- 393.03425
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-(4-chlorobutyl)-N-ethyl-, oxalate
- IUPAC
- (2-bromophenyl)methyl-(4-chlorobutyl)-ethylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
BENZYLAMINE, o-BROMO-N-(4-CHLOROBUTYL)-N-ETHYL-, OXALATEo-Bromo-N-(4-chlorobutyl)-N-ethylbenzylamine oxalate40616-86-2DTXSID00193623RefChem:328830DTXCID40116114N-[(2-Bromophenyl)methyl]-4-chloro-N-ethylbutan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
40616-86-2- PubChem CID
- 38554
- DTXSID
DTXSID00193623
Properties
Computed structural properties
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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