Basic information
- CAS
62746-11-6- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCCNCCCl- InChIKey
GSSMEAKFGZNMGV-UHFFFAOYSA-N- Molecular formula
- C20H40ClNO2
- Average molar mass
- 362 g/mol
- Monoisotopic mass
- 361.2747572
Names & identifiers
- Preferred name
- Hexadecanoic acid, 2-[(2-chloroethyl)amino]ethyl ester
- IUPAC
- 2-(2-chloroethylamino)ethyl hexadecanoate
Names & synonyms
62746-11-6Hexadecanoic acid, 2-[(2-chloroethyl)amino]ethyl esterNCIOpen2_008124DTXSID703288842-[(2-CHLOROETHYL)AMINO]ETHYL HEXADECANOATE
Database identifiers
- CAS
62746-11-6- PubChem CID
- 414802
- DTXSID
DTXSID70328884
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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