Choline, chloride, p-aminobenzoate
Basic information
- CAS
21106-24-1- Standard SMILES
C[N+](C)(C)CCOC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
JUXRIMBOGMSYNW-UHFFFAOYSA-N- Molecular formula
- C12H19ClN2O2
- Average molar mass
- 258.74 g/mol
- Monoisotopic mass
- 258.1135055
Names & identifiers
- Preferred name
- Choline, chloride, p-aminobenzoate
- IUPAC
- 2-(4-aminobenzoyl)oxyethyl-trimethylazanium chloride
Names & synonyms
p-Aminobenzoylcholine chlorideCholine, chloride, p-aminobenzoateBenzoic acid, p-amino ester with choline chloride21106-24-1RefChem:333996SCHEMBL11394506
Database identifiers
- CAS
21106-24-1- PubChem CID
- 210189
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
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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