Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID30198782

Structure

InChI Key SBJSIKFDCGEKRZ-UHFFFAOYSA-N
Smiles Cl.Cl.N1CCN(CC1)CCCC
InChI
InChI=1/C8H18N2.2ClH/c1-2-3-6-10-7-4-9-5-8-10;;/h9H,2-8H2,1H3;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18N2
Molecular Weight 214.1
AlogP 1.54
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 15.27
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 50733-95-4
NORMAN SUSDAT
PubChem 22591405