ChemSpider 2D Image | 4-Cyanobenzyl 1-(4-cyanobenzyl)-3-azetidinecarboxylate | C20H17N3O2

4-Cyanobenzyl 1-(4-cyanobenzyl)-3-azetidinecarboxylate

  • Molecular FormulaC20H17N3O2
  • Average mass331.368 Da
  • Monoisotopic mass331.132080 Da
  • ChemSpider ID28303746

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(4-Cyanobenzyl)-3-azétidinecarboxylate de 4-cyanobenzyle [French] [ACD/IUPAC Name]
1353985-29-1 [RN]
3-Azetidinecarboxylic acid, 1-[(4-cyanophenyl)methyl]-, (4-cyanophenyl)methyl ester [ACD/Index Name]
4-Cyanbenzyl-1-(4-cyanbenzyl)-3-azetidincarboxylat [German] [ACD/IUPAC Name]
4-Cyanobenzyl 1-(4-cyanobenzyl)-3-azetidinecarboxylate [ACD/IUPAC Name]
4-Cyanobenzyl 1-(4-cyanobenzyl)azetidine-3-carboxylate
(4-CYANOPHENYL)METHYL 1-[(4-CYANOPHENYL)METHYL]AZETIDINE-3-CARBOXYLATE
1-(4-Cyanobenzyl)azetidine-3-carboxylic acid 4-cyanobenzyl ester
1-(4-Cyanobenzyl)-azetidine-3-carboxylic acid 4-cyanobenzyl ester
1-(4-Cyano-benzyl)-azetidine-3-carboxylic acid 4-cyano-benzyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 512.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 264.0±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 92.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 22.69
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 46.47
ACD/KOC (pH 7.4): 496.24
Polar Surface Area: 77 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 64.5±5.0 dyne/cm
Molar Volume: 258.8±5.0 cm3

Click to predict properties on the Chemicalize site


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