Basic information
- CAS
113347-61-8- Standard SMILES
C[N+](C)(C)CCP(=O)(O)O.[Br-]- InChIKey
PRALFCSIYZWCDG-UHFFFAOYSA-N- Molecular formula
- C5H15BrNO3P
- Average molar mass
- 248.06 g/mol
- Monoisotopic mass
- 246.99729
Names & identifiers
- Preferred name
- N,N,N-Trimethyl-2-phosphonoethan-1-aminium bromide
- IUPAC
- trimethyl(2-phosphonoethyl)azanium bromide
Names & synonyms
113347-61-8N,N,N-Trimethyl-2-phosphonoethan-1-aminium bromideDTXSID80552178
Database identifiers
- CAS
113347-61-8- PubChem CID
- 13902811
- DTXSID
DTXSID80552178
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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