Propionylcholine
Basic information
- CAS
5072-54-8- Standard SMILES
CCC(=O)OCC[N+](C)(C)C- InChIKey
VVQZRZCFJJZEKN-UHFFFAOYSA-N- Molecular formula
- C8H18NO2+
- Average molar mass
- 160.23 g/mol
- Monoisotopic mass
- 160.13375382
Overview
Propionylcholine is an acylcholine.
Names & identifiers
- Preferred name
- Propionylcholine
- IUPAC
- trimethyl(2-propanoyloxyethyl)azanium
- English name
- propionylcholine
- Molecular weight
- 0
Names & synonyms
Propionylcholine5072-54-8RF1RI05V6Mtrimethyl(2-propanoyloxyethyl)azaniumEthanaminium, N,N,N-trimethyl-2-(1-oxopropoxy)-trimethyl[2-(propanoyloxy)ethyl]azaniumtrimethyl(2-(propanoyloxy)ethyl)azaniumRefChem:176431UNII-RF1RI05V6MN,N,N-Trimethyl-2-(propionyloxy)ethan-1-aminiumN,N,N-TRIMETHYL-2-(1-OXOPROPOXY)ETHANAMINIUMSCHEMBL2303835
Show more names
O-Propanoylcholine[2-(Propionyloxy)ethyl]trimethylaminiumN,N,N-Trimethyl-2-(Propionyloxy)Ethanaminium
DTXSID90964965CHEBI:166483CHOLINE PROPANOATE (ESTER)N,N,N-Trimethyl-2-(propanoyloxy)ethan-1-aminiumQ27894775PCH
Database identifiers
- CAS
5072-54-8- PubChem CID
- 75612
- DTXSID
DTXSID90964965- ChEBI
CHEBI:166483- UNII
- RF1RI05V6M
- Nikkaji
- J257.508F
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 1
- Complexity
- 127
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 70 °C · 70 °C(Press: 8 Torr)
- FDA UNII
- 1 RI05V6M · RF1RI05V6M
Chemistry & industry
Additional notes
DefinitionChEBI: Propionylcholine is an acylcholine.
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Related reactions
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Compound notes
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