Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WY8K8QXX9N
EPA CompTox DTXSID2060622

Structure

InChI Key HKJNHYJTVPWVGV-UHFFFAOYSA-N
Smiles CCN(CC)c1ccc(C)cc1
InChI
InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H17N1
Molecular Weight 163.14
AlogP 2.84
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 613-48-9
NORMAN SUSDAT
FDA SRS WY8K8QXX9N
PubChem 69177
ChemSpider 62392.0