Keyword(s): Surfactants
Molecule Category Free-form

Structure

InChI Key NYEBOTBTNKEVLT-UHFFFAOYSA-O
Smiles OCC[N+]1(CC(O)=O)CCN=C1CCCCCCCC
InChI
InChI=1S/C15H28N2O3/c1-2-3-4-5-6-7-8-14-16-9-10-17(14,11-12-18)13-15(19)20/h18H,2-13H2,1H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H29N2O3
Molecular Weight 285.22
AlogP 2.04
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 69.89
Heavy Atoms 20.0

Cross References

Resources Reference
NORMAN SUSDAT