Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L97S9L89DH
EPA CompTox DTXSID0026121

Structure

InChI Key AXFVIWBTKYFOCY-UHFFFAOYNA-N
Smiles CC(CCN(C)C)N(C)C
InChI
InChI=1S/C8H20N2/c1-8(10(4)5)6-7-9(2)3/h8H,6-7H2,1-5H3/t8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H20N2
Molecular Weight 144.16
AlogP 0.89
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 97-84-7
NORMAN SUSDAT
FDA SRS L97S9L89DH
ChemSpider 7072.0