Keyword(s): Human Metabolites
Molecule Category Salt-form
EPA CompTox DTXSID70999912

Structure

InChI Key MQKBVVIPCLTENX-UHFFFAOYSA-N
Smiles Cl.Cl.N1CCC(CC1)C2CCNCC2
InChI
InChI=1/C10H20N2.2ClH/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;;/h9-12H,1-8H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2
Molecular Weight 240.12
AlogP 1.83
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 24.06
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 78619-84-8
NORMAN SUSDAT
PubChem 736050