Basic information
- CAS
62992-51-2- Standard SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OCCNCCCl- InChIKey
HTOYRSAPALUQJU-UHFFFAOYSA-N- Molecular formula
- C22H44ClNO3
- Average molar mass
- 406 g/mol
- Monoisotopic mass
- 405.300972
Names & identifiers
- Preferred name
- 2-[(2-Chloroethyl)amino]ethyl 12-hydroxyoctadecanoate
- IUPAC
- 2-(2-chloroethylamino)ethyl 12-hydroxyoctadecanoate
Names & synonyms
62992-51-2DTXSID604949612-[(2-CHLOROETHYL)AMINO]ETHYL 12-HYDROXYOCTADECANOATE
Database identifiers
- CAS
62992-51-2- PubChem CID
- 12373467
- DTXSID
DTXSID60494961
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 22
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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