Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GA7U7UG4T5
EPA CompTox DTXSID70188480

Structure

InChI Key AHAPEYABSDOBIP-UHFFFAOYSA-N
Smiles CCN1CCN(N)CC1
InChI
InChI=1S/C6H15N3/c1-2-8-3-5-9(7)6-4-8/h2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15N3
Molecular Weight 129.13
AlogP -0.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.5
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 34924-93-1
NORMAN SUSDAT
FDA SRS GA7U7UG4T5
PubChem 3015725
ChemSpider 2283804.0