Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FQL33V3KZD
EPA CompTox DTXSID40142938

Structure

InChI Key DAKZISABEDGGSV-UHFFFAOYSA-N
Smiles CC(=O)NCCN
InChI
InChI=1S/C4H10N2O/c1-4(7)6-3-2-5/h2-3,5H2,1H3,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10N2O1
Molecular Weight 102.08
AlogP -0.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 58.61
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 1001-53-2
NORMAN SUSDAT
FDA SRS FQL33V3KZD
PubChem 66082
ChemSpider 59472.0