Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 35BQ7GUH18
EPA CompTox DTXSID4029359

Structure

InChI Key NXMXETCTWNXSFG-UHFFFAOYSA-N
Smiles COCC(C)N
InChI
InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N1O1
Molecular Weight 89.08
AlogP -0.02
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 35.25
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 37143-54-7
NORMAN SUSDAT
FDA SRS 35BQ7GUH18
PubChem 123458
ChemSpider 110054.0