Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D0LWN1061P
EPA CompTox DTXSID1021900

Structure

InChI Key JOMNTHCQHJPVAZ-UHFFFAOYNA-N
Smiles CC1CNCCN1
InChI
InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3/t5-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12N2
Molecular Weight 100.1
AlogP -0.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 24.06
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 109-07-9
NORMAN SUSDAT
FDA SRS D0LWN1061P
ChemSpider 7688.0