2D

3D

Save

Zoom
- Double-bond stereo

N,N'-1,4-Phenylenebis[1-(2,6-dichlorophenyl)methanimine]

ChemSpider ID: 21126050
Molecular Formula: C₂₀H₁₂Cl₄N₂
Average mass: 422.13501 Da
Monoisotopic mass: 419.975006 Da
Systematic name

N,N'-1,4-Phenylenebis[1-(2,6-dichlorophenyl)methanimine]
SMILES and InChIs

SMILES:

Clc3cccc(Cl)c3C=Nc2ccc(N=Cc1c(Cl)cccc1Cl)cc2 Copied

Std. InChI:

InChI=1S/C20H12Cl4N2/c21-17-3-1-4-18(22)15(17)11-25-13-7-9-14(10-8-13)26-12-16-19(23)5-2-6-20(16)24/h1-12H Copied

Std. InChIKey:

AMJZHVOAPBGFGN-UHFFFAOYSA-N Copied
Cite this record
CSID:21126050, http://www.chemspider.com/Chemical-Structure.21126050.html (accessed 00:26, May 25, 2012) Copied

ChemSpider Searches

Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	6.264	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	6.26	ACD/LogD (pH 7.4):	6.26
ACD/BCF (pH 5.5):	33258.89	ACD/BCF (pH 7.4):	33918.79
ACD/KOC (pH 5.5):	59691.08	ACD/KOC (pH 7.4):	60875.42
#H bond acceptors:	2	#H bond donors:	0
#Freely Rotating Bonds:	4	Polar Surface Area:	24.72 Å²
Index of Refraction:	1.625	Molar Refractivity:	111.583 cm³
Molar Volume:	315.589 cm³	Polarizability:	44.235 10^-24cm³
Surface Tension:	44.9329986572266 dyne/cm	Density:	1.338 g/cm³
Flash Point:	301.006 °C	Enthalpy of Vaporization:	82.829 kJ/mol
Boiling Point:	574.102 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

Feedback Form