Acryloylcholine

HCID 83146CAS 20284-80-4

Basic information

Standard SMILES
C=CC(=O)OCC[N+](C)(C)C
InChIKey
AIUAMYPYEUQVEM-UHFFFAOYSA-N
Molecular formula
C8H16NO2+
Average molar mass
158.22 g/mol
Monoisotopic mass
158.11755517

Names & identifiers

Preferred name
Acryloylcholine
IUPAC
trimethyl(2-prop-2-enoyloxyethyl)azanium

Names & synonyms

Acryloylcholine20284-80-47JF3G4YZ2RDTXSID90174148RefChem:109445DTXCID6096639Ethanaminium, N,N,N-trimethyl-2-((1-oxo-2-propenyl)oxy)-SCHEMBL20908acryloyloxyethyltrimethylammoniumCHEMBL3306057NS00005210N,N,N-Trimethyl-2-[(prop-2-enoyl)oxy]ethan-1-aminium
Show more names
N,N,N-Trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]ethanaminiumEthanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-

Database identifiers

CAS
20284-80-4
PubChem CID
83146
DTXSID
DTXSID90174148
ChEMBL
CHEMBL3306057
UNII
7JF3G4YZ2R
Nikkaji
J312.483E

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
11

Related reactions

2 records

Linked notes

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