Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S4YM38H4U6
EPA CompTox DTXSID8051548

Structure

InChI Key FENJKTQEFUPECW-UHFFFAOYSA-N
Smiles N#CCCNc1ccccc1
InChI
InChI=1S/C9H10N2/c10-7-4-8-11-9-5-2-1-3-6-9/h1-3,5-6,11H,4,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N2
Molecular Weight 146.08
AlogP 2.01
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 35.82
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1075-76-9
NORMAN SUSDAT
FDA SRS S4YM38H4U6
PubChem 14100
ChemSpider 13478.0