Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9W8CZX75SP
EPA CompTox DTXSID1063015

Structure

InChI Key MTHFROHDIWGWFD-UHFFFAOYSA-N
Smiles CCCC[NH+](C)CCCC
InChI
InChI=1S/C9H21N/c1-4-6-8-10(3)9-7-5-2/h4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H21N1
Molecular Weight 143.17
AlogP 2.52
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 3.24
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3405-45-6
NORMAN SUSDAT
FDA SRS 9W8CZX75SP
PubChem 18855
ChemSpider 17804.0