Basic information
- CAS
2922-18-1- Standard SMILES
C[N+](C)(C)CCOC(=O)CCCN.Cl.[Cl-]- InChIKey
KHLHTXMNCOBKIX-UHFFFAOYSA-M- Molecular formula
- C9H22Cl2N2O2
- Average molar mass
- 261.19 g/mol
- Monoisotopic mass
- 260.1058333
Names & identifiers
- Preferred name
- Choline, chloride, 4-aminobutyrate, hydrochloride
- IUPAC
- 2-(4-aminobutanoyloxy)ethyl-trimethylazanium;chloride;hydrochloride
Names & synonyms
gamma-Aminobutyrylcholine chloride hydrochloride2922-18-1Choline, chloride, 4-aminobutyrate, hydrochlorideEthanaminium, 2-(4-amino-1-oxobutoxy)-N,N,N-trimethyl-, chloride, hydrochlorideNSC 45486RefChem:333987DTXSID90951835NSC45486NSC-454862-[(4-Aminobutanoyl)oxy]-N,N,N-trimethylethan-1-aminium chloride--hydrogen chloride (1/1/1)
Database identifiers
- CAS
2922-18-1- PubChem CID
- 200906
- DTXSID
DTXSID90951835
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…