Basic information
- CAS
2208-04-0- Standard SMILES
C[N+](C)(C)CCOC(=O)c1ccccc1- InChIKey
HOPVGFKDVOOCHD-UHFFFAOYSA-N- Molecular formula
- C12H18NO2+
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.13375382
Overview
Benzoylcholine is a benzoate ester.
Names & identifiers
- Preferred name
- Benzoylcholine
- IUPAC
- 2-benzoyloxyethyl(trimethyl)azanium
- English name
- choline benzoate
- Molecular formula
- C12H19NO3
- Molecular weight
- 225.28416
Names & synonyms
BENZOYLCHOLINE2208-04-02-benzoyloxyethyl(trimethyl)azaniumDTXSID20176574Ethanaminium, 2-(benzoyloxy)-N,N,N-trimethyl-AE4LP5VL2PRefChem:388828DTXCID6099065218-629-6HOPVGFKDVOOCHD-UHFFFAOYSA-N2-(Benzoyloxy)-N,N,N-trimethylethanaminiumTimTec1_001325
Show more names
Benzoycholinecholine benzoateO-Benzoylcholine2-Benzoyloxy-N,N,N-trimethylethanaminium
SCHEMBL2221655BDBM85259HOPVGFKDVOOCHD-UHFFFAOYSA-CHEBI:177037EINECS 218-629-6NCGC00174550-012-benzoyloxyethyl-trimethyl-azanium iodide2-(Benzoyloxy)-N,N,N-trimethylethan-1-aminium
Database identifiers
- CAS
2208-04-0- PubChem CID
- 16632
- DTXSID
DTXSID20176574- ChEBI
CHEBI:177037- UNII
- AE4LP5VL2P
- Nikkaji
- J231.980B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 1
- Complexity
- 202
Physicochemical properties
- Melting point
- 204 · 204-205 °C
Chemistry & industry
Suppliers4 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Benzoylcholine is a benzoate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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