Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JBC5EX42TL
EPA CompTox DTXSID4058730

Structure

InChI Key KVKFRMCSXWQSNT-UHFFFAOYSA-N
Smiles CNCCNC
InChI
InChI=1S/C4H12N2/c1-5-3-4-6-2/h5-6H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12N2
Molecular Weight 88.1
AlogP -0.57
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 24.06
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 110-70-3
NORMAN SUSDAT
FDA SRS JBC5EX42TL
PubChem 8070
ChemSpider 7779.0