Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZFZ8268TMG
EPA CompTox DTXSID3063625

Structure

InChI Key GMYLJUMIAPOWOO-UHFFFAOYSA-N
Smiles N(=CCCC)CCCC
InChI
InChI=1/C8H17N/c1-3-5-7-9-8-6-4-2/h7H,3-6,8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17N
Molecular Weight 127.14
AlogP 2.66
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 12.36
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 4853-56-9
NORMAN SUSDAT
FDA SRS ZFZ8268TMG
PubChem 94840