Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D67I8PN8UU
EPA CompTox DTXSID4024931

Structure

InChI Key JACMPVXHEARCBO-UHFFFAOYSA-N
Smiles CCCCCNCCCCC
InChI
InChI=1S/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23N1
Molecular Weight 157.18
AlogP 2.96
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 12.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2050-92-2
NORMAN SUSDAT
FDA SRS D67I8PN8UU
PubChem 16316
ChemSpider 15482.0