Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 69F547MD7G
EPA CompTox DTXSID8064569

Structure

InChI Key LTEKQAPRXFBRNN-UHFFFAOYSA-N
Smiles NCC1CCNCC1
InChI
InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H14N2
Molecular Weight 114.12
AlogP -0.06
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 38.05
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 7144-05-0
NORMAN SUSDAT
FDA SRS 69F547MD7G
PubChem 23527
ChemSpider 21997.0