Keyword(s): Surfactants
Molecule Category Free-form

Structure

InChI Key LNCJHVLXANMHHD-UHFFFAOYSA-O
Smiles CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC(=O)O
InChI
InChI=1S/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-25-18-19-26(23,20-21-27)22-24(28)29/h27H,2-22H2,1H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H47N2O3
Molecular Weight 411.36
AlogP 5.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 20.0
Polar Surface Area 69.89
Heavy Atoms 29.0

Cross References

Resources Reference
NORMAN SUSDAT
PubChem 83073
ChemSpider 74945.0