Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID70948889

Structure

InChI Key SFLOAOINZSFFAE-UHFFFAOYSA-N
Smiles C1CN1.NCCN
InChI
InChI=1S/C2H8N2.C2H5N/c3-1-2-4;1-2-3-1/h1-4H2;3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H13N3
Molecular Weight 103.11
AlogP -1.51
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 73.98
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 25987-06-8
NORMAN SUSDAT
PubChem 168453