Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID60910171

Structure

InChI Key NONKGIYRMOXVHW-UHFFFAOYSA-N
Smiles C1CN1.NCCNCCN
InChI
InChI=1S/C4H13N3.C2H5N/c5-1-3-7-4-2-6;1-2-3-1/h7H,1-6H2;3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H18N4
Molecular Weight 146.15
AlogP -1.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 86.01
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 106899-94-9
NORMAN SUSDAT
PubChem 44145008