Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 96NMC20FDU
EPA CompTox DTXSID0067892

Structure

InChI Key SALYKAIZVOFAEJ-UHFFFAOYSA-N
Smiles CCCCCNCCO
InChI
InChI=1S/C7H17NO/c1-2-3-4-5-8-6-7-9/h8-9H,2-7H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17N1O1
Molecular Weight 131.13
AlogP 0.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 32.26
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 35161-67-2
NORMAN SUSDAT
FDA SRS 96NMC20FDU
PubChem 97502
ChemSpider 88002.0