Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0916206V9S
EPA CompTox DTXSID60186096

Structure

InChI Key SWKPGMVENNYLFK-UHFFFAOYSA-N
Smiles CCCN(CCC)CCO
InChI
InChI=1S/C8H19NO/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19N1O1
Molecular Weight 145.15
AlogP 1.1
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.47
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3238-75-3
NORMAN SUSDAT
FDA SRS 0916206V9S
PubChem 76721
ChemSpider 69179.0