<

Predicted properties of the compound entered.

ID AADDQJCUGYIPAN-WORIPGKHSA-N
Formula C22H27ClN2O
IUPAC Name (NE)-4-[(1S)-1-(2-chlorophenyl)ethoxy]-2,5-dimethyl-N-(piperidin-1-ylmethylidene)aniline
SMILES
Standard InChI
Standard InChIKey
Cite this record
Copied
Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C22H27ClN2O/c1-16-14-22(26-18(3)19-9-5-6-10-20(19)23)17(2)13-21(16)24-15-25-11-7-4-8-12-25/h5-6,9-10,13-15,18H,4,7-8,11-12H2,1-3H3/b24-15+/t18-/m0/s1
Standard InChIKey (User Input) InChIKey=AADDQJCUGYIPAN-WORIPGKHSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
This prediction is based on QSPR only and is the first basic approximate estimation.
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
For professional applications, try our new chemical database based on quantum mechanics - more property data (~2,100 data sets per compound) with higher accuracy.

Mol-Instincts Database

Additional Information Link
1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
All prediction -