Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MYT5Y030TC
EPA CompTox DTXSID7062110

Structure

InChI Key OUMBFMLKPJUWDQ-UHFFFAOYSA-N
Smiles CCCNCc1ccccc1
InChI
InChI=1S/C10H15N/c1-2-8-11-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H15N1
Molecular Weight 149.12
AlogP 2.19
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2032-33-9
NORMAN SUSDAT
FDA SRS MYT5Y030TC
PubChem 74850
ChemSpider 67415.0