Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40158630

Structure

InChI Key ORTUDDOFSUHQKZ-UHFFFAOYSA-N
Smiles CN(CCO)C(=N)N
InChI
InChI=1S/C4H11N3O/c1-7(2-3-8)4(5)6/h8H,2-3H2,1H3,(H3,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H11N3O1
Molecular Weight 117.09
AlogP -1.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 73.34
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13429-32-8
NORMAN SUSDAT
PubChem 83440
ChemSpider 75290.0