Choline, chloride, p-nitrobenzoate
Basic information
- CAS
21106-21-8- Standard SMILES
C[N+](C)(C)CCOC(=O)c1ccc([N+](=O)[O-])cc1.[Cl-]- InChIKey
SPFNVFXOIQNESU-UHFFFAOYSA-M- Molecular formula
- C12H17ClN2O4
- Average molar mass
- 288.73 g/mol
- Monoisotopic mass
- 288.0876847
Names & identifiers
- Preferred name
- Choline, chloride, p-nitrobenzoate
- IUPAC
- trimethyl-[2-(4-nitrobenzoyl)oxyethyl]azanium chloride
Names & synonyms
p-Nitrobenzoylcholine chlorideCholine, chloride, p-nitrobenzoate21106-21-8Ethanaminium, N,N,N-trimethyl-2-((4-nitrobenzoyl)oxy)-, chlorideRefChem:333997Ethanaminium, N,N,N-trimethyl-2-((4-nitrobenzoyl)oxy)-, chloride (9CI)DTXSID50943438N,N,N-Trimethyl-2-[(4-nitrobenzoyl)oxy]ethan-1-aminium chloride
Database identifiers
- CAS
21106-21-8- PubChem CID
- 210183
- DTXSID
DTXSID50943438
Properties
Computed structural properties
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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