Basic information
- CAS
10054-22-5- Standard SMILES
CCCCCCCCCCCCCCN1CC(C(=O)O)CC1=O- InChIKey
WCDFDRGOVVEZCN-UHFFFAOYSA-N- Molecular formula
- C19H35NO3
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.26169398
Names & identifiers
- Preferred name
- 1-Tetradecyl-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 5-oxo-1-tetradecylpyrrolidine-3-carboxylic acid
- English name
- 1-tetradecyl-5-oxopyrrolidine-3-carboxylic acid
- Molecular formula
- C19H35NO3
- Molecular weight
- 325.49
Names & synonyms
10054-22-55-oxo-1-tetradecylpyrrolidine-3-carboxylic acid1-Tetradecyl-5-oxopyrrolidine-3-carboxylic acidEINECS 233-183-2SCHEMBL8084202DTXSID50905576WCDFDRGOVVEZCN-UHFFFAOYSA-NNS000472221-Tetradecyl-5-oxo-3-pyrrolidinecarboxylic acid3-Pyrrolidinecarboxylic acid, 5-oxo-1-tetradecyl-
Database identifiers
- CAS
10054-22-5- PubChem CID
- 111997
- DTXSID
DTXSID50905576- EC Number
- 233-183-2
- Nikkaji
- J241.252G
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 344
Physicochemical properties
- Melting point
- 75.5 · 75.5-76.5 °C
- Boiling point
- 486.9 · 486.9±38.0 °C(Predicted)
- Density
- 1.004 · 1.004±0.06 g/cm3(Predicted)
- pka
- 4.55 · 4.55±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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