Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 47H9440ZOW
EPA CompTox DTXSID0048181

Structure

InChI Key WRDWWAVNELMWAM-UHFFFAOYSA-N
Smiles CC(C)(C)c1ccc(N)cc1
InChI
InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.57
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 769-92-6
NORMAN SUSDAT
FDA SRS 47H9440ZOW
PubChem 69861
ChemSpider 63057.0