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

Structure

InChI Key ZZCHUBZBYAFNPJ-UHFFFAOYSA-N
Smiles Cl.Cl.NNC1CCN(CC=2C=CC=CC2)CC1
InChI
InChI=1/C12H19N3.2ClH/c13-14-12-6-8-15(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12,14H,6-10,13H2;2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19N3
Molecular Weight 277.11
AlogP 1.96
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 41.29
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 83949-42-2
NORMAN SUSDAT
PubChem 21193157