gamma-Aminobutyrylcholine
Basic information
- CAS
541-18-4- Standard SMILES
C[N+](C)(C)CCOC(=O)CCCN- InChIKey
OOIACSCGKZSYOU-UHFFFAOYSA-N- Molecular formula
- C9H21N2O2+
- Average molar mass
- 189.28 g/mol
- Monoisotopic mass
- 189.16030292
Names & identifiers
- Preferred name
- gamma-Aminobutyrylcholine
- IUPAC
- 2-(4-aminobutanoyloxy)ethyl-trimethylazanium
- English name
- gamma-aminobutyrylcholine
- Molecular weight
- 0
Names & synonyms
gamma-Aminobutyrylcholine541-18-4RefChem:1422792-(4-aminobutanoyloxy)ethyl-trimethylazaniumEthanaminium, 2-(4-amino-1-oxobutoxy)-N,N,N-trimethyl-SCHEMBL14742264DTXSID90968968AKOS0158401062-[(4-Aminobutanoyl)oxy]-N,N,N-trimethylethan-1-aminium
Database identifiers
- CAS
541-18-4- PubChem CID
- 164658
- DTXSID
DTXSID90968968
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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