Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R9M9Y9Q3C7
EPA CompTox DTXSID00168735

Structure

InChI Key RUFPEZGNIWGNQW-UHFFFAOYSA-N
Smiles CNCCCNCCCN
InChI
InChI=1S/C7H19N3/c1-9-5-3-7-10-6-2-4-8/h9-10H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H19N3
Molecular Weight 145.16
AlogP -0.47
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 50.08
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 16968-18-6
NORMAN SUSDAT
FDA SRS R9M9Y9Q3C7
PubChem 86888
ChemSpider 78385.0