Basic information
- CAS
16630-27-6- Standard SMILES
CCOC(=O)CCC[N+](C)(C)C- InChIKey
NFQSXHRKWCFVHZ-UHFFFAOYSA-N- Molecular formula
- C9H20NO2+
- Average molar mass
- 174.26 g/mol
- Monoisotopic mass
- 174.14940388
Names & identifiers
- Preferred name
- gamma-Butyrobetaine ethyl ester
- IUPAC
- (4-ethoxy-4-oxobutyl)-trimethylazanium
Names & synonyms
Gbb-EEgamma-Butyrobetaine ethyl esterG7BMF1URO9Ethyl N-trimethyl-gamma-aminobutyrate1-Butanaminium, 4-ethoxy-N,N,N-trimethyl-4-oxo-16630-27-6RefChem:1085686UNII-G7BMF1URO9SCHEMBL13396799ETHYL N-TRIMETHYL-.GAMMA.-AMINOBUTYRATE
Database identifiers
- CAS
16630-27-6- PubChem CID
- 30902
- UNII
- G7BMF1URO9
- Nikkaji
- J238.924J
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 1
- Complexity
- 138
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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