Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZX5P3X9GKZ
EPA CompTox DTXSID10160907

Structure

InChI Key RFLHDXQRFPJPRR-UHFFFAOYSA-N
Smiles NCCCNCc1ccccc1
InChI
InChI=1S/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N2
Molecular Weight 164.13
AlogP 1.13
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 38.05
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13910-48-0
NORMAN SUSDAT
FDA SRS ZX5P3X9GKZ
PubChem 83811
ChemSpider 75631.0