Basic information
- CAS
62746-12-7- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCNCCCl- InChIKey
DENMTQQOGUWSGG-UHFFFAOYSA-N- Molecular formula
- C22H44ClNO2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.3060573
Names & identifiers
- Preferred name
- 2-[(2-Chloroethyl)amino]ethyl octadecanoate
- IUPAC
- 2-(2-chloroethylamino)ethyl octadecanoate
Names & synonyms
62746-12-72-[(2-CHLOROETHYL)AMINO]ETHYL OCTADECANOATEDTXSID00494960
Database identifiers
- CAS
62746-12-7- PubChem CID
- 12373466
- DTXSID
DTXSID00494960
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 22
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…