Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1H60H4LOHZ
EPA CompTox DTXSID9025459

Structure

InChI Key KDSNLYIMUZNERS-UHFFFAOYSA-N
Smiles CC(C)CN
InChI
InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N1
Molecular Weight 73.09
AlogP 0.6
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.02
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 78-81-9
NORMAN SUSDAT
FDA SRS 1H60H4LOHZ
PubChem 6558
ChemSpider 6310.0