1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
Basic information
- CAS
10054-20-3- Standard SMILES
CCCCCCCCCCCCCCCCCCN1CC(C(=O)O)CC1=O- InChIKey
YNVVGWVZIYAFNV-UHFFFAOYSA-N- Molecular formula
- C23H43NO3
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 381.32429423
Names & identifiers
- Preferred name
- 1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid
- IUPAC
- 1-octadecyl-5-oxopyrrolidine-3-carboxylic acid
- English name
- 1-octadecyl-5-oxopyrrolidine-3-carboxylic acid
- Molecular formula
- C23H43NO3
- Molecular weight
- 381.59
Names & synonyms
1-Octadecyl-5-oxopyrrolidine-3-carboxylic acid10054-20-3EINECS 233-181-13-Pyrrolidinecarboxylic acid, 1-octadecyl-5-oxo-SCHEMBL1283867DTXSID90905575YNVVGWVZIYAFNV-UHFFFAOYSA-NDB-312269NS000472301-Octadecyl-5-oxopyrrolidine-3-carboxylicacidH569871-Octadecyl-5-oxo-3-pyrrolidinecarboxylic acid
Database identifiers
- CAS
10054-20-3- PubChem CID
- 111995
- DTXSID
DTXSID90905575- EC Number
- 233-181-1
- Nikkaji
- J241.251I
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 55 · 55-57 °C
- Boiling point
- 532.8 · 532.8±43.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.55 · 4.55±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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