Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 441AFN19XS
EPA CompTox DTXSID1027920

Structure

InChI Key UPPIBFVZIFKMFO-UHFFFAOYSA-N
Smiles CCCCN(CCCC)CCCCCCN(CCCC)CCCC
InChI
InChI=1S/C22H48N2/c1-5-9-17-23(18-10-6-2)21-15-13-14-16-22-24(19-11-7-3)20-12-8-4/h5-22H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H48N2
Molecular Weight 340.38
AlogP 6.35
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 19.0
Polar Surface Area 6.48
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 27090-63-7
NORMAN SUSDAT
FDA SRS 441AFN19XS
PubChem 94377
ChemSpider 85172.0