Basic information
- CAS
34562-99-7- Standard SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCN- InChIKey
FQZPXSRKCOWUEI-UHFFFAOYSA-N- Molecular formula
- C20H41NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.31372955
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Hexadecyl 4-aminobutanoate
- IUPAC
- hexadecyl 4-aminobutanoate
- English name
- gamma-aminobutyric acid cetyl ester
- Molecular weight
- 0
Names & synonyms
Cetyl GABAhexadecyl 4-aminobutanoategamma-Aminobutyric acid cetyl ester34562-99-7DTXSID00188099GABA cetyl esterRefChem:922907DTXCID80110590Cetyl gamma-aminobutyrateBRN 2373354BUTANOIC ACID, 4-AMINO-, HEXADECYL ESTER4-Aminobutanoic acid hexadecyl ester
Database identifiers
- CAS
34562-99-7- PubChem CID
- 36853
- DTXSID
DTXSID00188099- Nikkaji
- J55.486C
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 465.41 °C · 465.41°C (rough estimate)
- Density
- 0.9732 · 0.9732 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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