Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D0XU06U318
EPA CompTox DTXSID9067699

Structure

InChI Key UVYBWDBLVDZIOX-UHFFFAOYSA-N
Smiles CCCCCCCCNCCO
InChI
InChI=1S/C10H23NO/c1-2-3-4-5-6-7-8-11-9-10-12/h11-12H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23N1O1
Molecular Weight 173.18
AlogP 1.93
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 32.26
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 32582-63-1
NORMAN SUSDAT
FDA SRS D0XU06U318
PubChem 93158
ChemSpider 84102.0