Choline, iodide, m-aminobenzoate
Basic information
- CAS
21106-23-0- Standard SMILES
C[N+](C)(C)CCOC(=O)c1cccc(N)c1.[I-]- InChIKey
FNFFUKIYQYJZDT-UHFFFAOYSA-M- Molecular formula
- C12H19IN2O2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 350.04913
Names & identifiers
- Preferred name
- Choline, iodide, m-aminobenzoate
- IUPAC
- 2-(3-aminobenzoyl)oxyethyl-trimethylazanium iodide
Names & synonyms
m-Aminobenzoylcholine iodideCholine, iodide, m-aminobenzoate21106-23-0Benzoic acid, m-amino ester with choline iodideRefChem:334012DTXSID209434402-[(3-Aminobenzoyl)oxy]-N,N,N-trimethylethan-1-aminium iodide
Database identifiers
- CAS
21106-23-0- PubChem CID
- 210187
- DTXSID
DTXSID20943440
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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