Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3G2GT415DH
EPA CompTox DTXSID8061002

Structure

InChI Key LZMATGARSSLFMQ-UHFFFAOYSA-N
Smiles CC(C)NC(=O)N
InChI
InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10N2O1
Molecular Weight 102.08
AlogP 0.48
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 56.11
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 691-60-1
NORMAN SUSDAT
FDA SRS 3G2GT415DH
PubChem 12725
ChemSpider 12202.0