Basic information
- CAS
40616-81-7- Standard SMILES
CC[NH+](CCCI)Cc1ccccc1Br.O=C([O-])C(=O)O- InChIKey
AEUSXTQEDGWDIE-UHFFFAOYSA-N- Molecular formula
- C14H19BrINO4
- Average molar mass
- 472.11 g/mol
- Monoisotopic mass
- 470.95422
Names & identifiers
- Preferred name
- Benzylamine, o-bromo-N-ethyl-N-(3-iodopropyl)-, oxalate
- IUPAC
- (2-bromophenyl)methyl-ethyl-(3-iodopropyl)azanium;2-hydroxy-2-oxoacetate
Names & synonyms
BENZYLAMINE, o-BROMO-N-ETHYL-N-(3-IODOPROPYL)-, OXALATEo-Bromo-N-ethyl-N-(3-iodopropyl)benzylamine oxalateN-(2-Bromobenzyl)-N-(3-iodopropyl)ethylamine oxalate40616-81-7DTXSID80193621RefChem:328835DTXCID20116112N-[(2-Bromophenyl)methyl]-N-ethyl-3-iodopropan-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
40616-81-7- PubChem CID
- 38544
- DTXSID
DTXSID80193621
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
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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