ChemSpider 2D Image | 5-Methyl 3-(~2~H_3_)methyl 2-methyl-6-(~2~H_2_)methyl-4-(2-nitrophenyl)(1-~2~H)-1,4-dihydro-3,5-pyridinedicarboxylate | C17H12D6N2O6

5-Methyl 3-(2H3)methyl 2-methyl-6-(2H2)methyl-4-(2-nitrophenyl)(1-2H)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC17H12D6N2O6
  • Average mass352.372 Da
  • Monoisotopic mass352.154144 Da
  • ChemSpider ID58791363

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Méthyl-6-(2H2)méthyl-4-(2-nitrophényl)(1-2H)-1,4-dihydro-3,5-pyridinedicarboxylate de 5-méthyle et de 3-(2H3)méthyle [French] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-1-d-2-methyl-6-(methyl-d2)-4-(2-nitrophenyl)-, 5-methyl 3-methyl-d3 ester [ACD/Index Name]
5-Methyl 3-(2H3)methyl 2-methyl-6-(2H2)methyl-4-(2-nitrophenyl)(1-2H)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
5-Methyl-3-(2H3)methyl-2-methyl-6-(2H2)methyl-4-(2-nitrophenyl)(1-2H)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
1188266-14-9 [RN]
Nifedipine D6
NIFEDIPINE-D6

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 475.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 241.2±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 244.87
ACD/KOC (pH 5.5): 1784.10
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.24
ACD/KOC (pH 7.4): 1786.80
Polar Surface Area: 110 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 272.3±3.0 cm3

Click to predict properties on the Chemicalize site


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