Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2L63T88NSK
EPA CompTox DTXSID50189879

Structure

InChI Key LTGYRKOQQQWWAF-UHFFFAOYSA-N
Smiles CCCCCCCNC
InChI
InChI=1S/C8H19N/c1-3-4-5-6-7-8-9-2/h9H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H19N1
Molecular Weight 129.15
AlogP 2.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 12.03
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 36343-05-2
NORMAN SUSDAT
FDA SRS 2L63T88NSK
PubChem 93190
ChemSpider 84133.0