Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L70Q7EKN2C
EPA CompTox DTXSID30196228

Structure

InChI Key BBDGYADAMYMJNO-UHFFFAOYSA-N
Smiles CCCCN(CC)CCCC
InChI
InChI=1S/C10H23N/c1-4-7-9-11(6-3)10-8-5-2/h4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H23N1
Molecular Weight 157.18
AlogP 2.91
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 3.24
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 4458-33-7
NORMAN SUSDAT
FDA SRS L70Q7EKN2C
PubChem 78207
ChemSpider 70583.0