Basic information
- CAS
63990-58-9- Standard SMILES
C[N+](C)(C)CCOC(=O)CCl.[Br-]- InChIKey
KHGZCMSGVDVUDN-UHFFFAOYSA-M- Molecular formula
- C7H15BrClNO2
- Average molar mass
- 260.55 g/mol
- Monoisotopic mass
- 258.99747
Names & identifiers
- Preferred name
- Ammonium, (2-((chloroacetyl)oxy)ethyl)trimethyl-, bromide
- IUPAC
- 2-(2-chloroacetyl)oxyethyl-trimethylazanium bromide
Names & synonyms
Chloracetylcholin bromideAcetylcholin, chloro-, bromide63990-58-9AMMONIUM, (2-((CHLOROACETYL)OXY)ETHYL)TRIMETHYL-, BROMIDERefChem:318706ChloracetylcholinbromidDTXSID509817742-[(Chloroacetyl)oxy]-N,N,N-trimethylethan-1-aminium bromide
Database identifiers
- CAS
63990-58-9- PubChem CID
- 46172
- DTXSID
DTXSID50981774
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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