Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate
Basic information
- CAS
40616-84-0- Standard SMILES
C=CC[NH+](CCCCl)Cc1ccccc1Br.O=C([O-])C(=O)O- InChIKey
DTNUGUVEXBLWGG-UHFFFAOYSA-N- Molecular formula
- C15H19BrClNO4
- Average molar mass
- 392.67 g/mol
- Monoisotopic mass
- 391.0186
Names & identifiers
- Preferred name
- Benzylamine, N-allyl-o-bromo-N-(3-chloropropyl)-, oxalate
- IUPAC
- (2-bromophenyl)methyl-(3-chloropropyl)-prop-2-enylazanium;2-hydroxy-2-oxoacetate
Names & synonyms
BENZYLAMINE, N-ALLYL-o-BROMO-N-(3-CHLOROPROPYL)-, OXALATEN-Allyl-o-bromo-N-(3-chloropropyl)benzylamine oxalate40616-84-0DTXSID40193622RefChem:328817DTXCID80116113N-[(2-Bromophenyl)methyl]-N-(3-chloropropyl)prop-2-en-1-aminium hydrogen ethanedioate
Database identifiers
- CAS
40616-84-0- PubChem CID
- 38550
- DTXSID
DTXSID40193622
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
- 276
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…