Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20158052

Structure

InChI Key QCTOLMMTYSGTDA-UHFFFAOYSA-N
Smiles CN(C)CCCCO
InChI
InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N1O1
Molecular Weight 117.12
AlogP 0.32
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 23.47
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13330-96-6
NORMAN SUSDAT
PubChem 83350
ChemSpider 75209.0