Basic information
- CAS
5099-51-4- Standard SMILES
C[N+](C)(C)CCOC(=O)c1cccnc1.[Cl-]- InChIKey
ROUGXYODCZOUET-UHFFFAOYSA-M- Molecular formula
- C11H17ClN2O2
- Average molar mass
- 244.72 g/mol
- Monoisotopic mass
- 244.0978555
Names & identifiers
- Preferred name
- Choline, chloride, nicotinate
- IUPAC
- trimethyl-[2-(pyridine-3-carbonyloxy)ethyl]azanium chloride
Names & synonyms
Choline, chloride, nicotinateNicotinic acid, ester with choline chlorideNikotynianu chlorku choliny [Polish]5099-51-4Nikotynianu chlorku cholinyPyridine-3-carboxylic acid ester with choline chlorideEthanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, chlorideRefChem:333994Ethanaminium, 2-((3-pyridinylcarbonyl)oxy)-N,N,N-trimethyl-, chloride (9CI)SCHEMBL29011994DTXSID40965260N,N,N-Trimethyl-2-[(pyridine-3-carbonyl)oxy]ethan-1-aminium chloride
Database identifiers
- CAS
5099-51-4- PubChem CID
- 199844
- DTXSID
DTXSID40965260
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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