ChemSpider 2D Image | 3-Isopropyl 5-methyl 6-cyano-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydro-3,5-pyridinedicarboxylate | C19H21N3O6

3-Isopropyl 5-methyl 6-cyano-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC19H21N3O6
  • Average mass387.387 Da
  • Monoisotopic mass387.143036 Da
  • ChemSpider ID21112847

More details:

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

3,5-Pyridinedicarboxylic acid, 6-cyano-1,2,3,4-tetrahydro-2-methyl-4-(3-nitrophenyl)-, 5-methyl 3-(1-methylethyl) ester [ACD/Index Name]
3-Isopropyl 5-methyl 6-cyano-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-Isopropyl 5-methyl 6-cyano-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate
3-Isopropyl-5-methyl-6-cyan-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
5-methyl 3-propan-2-yl 6-cyano-2-methyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydropyridine-3,5-dicarboxylate
6-Cyano-2-méthyl-4-(3-nitrophényl)-1,2,3,4-tétrahydro-3,5-pyridinedicarboxylate de 3-isopropyle et de 5-méthyle [French] [ACD/IUPAC Name]
75530-68-6 [RN]
MFCD00867065 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 519.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.8±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 97.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 141.91
ACD/KOC (pH 5.5): 1207.67
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.99
ACD/KOC (pH 7.4): 1208.35
Polar Surface Area: 134 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 298.2±5.0 cm3

Click to predict properties on the Chemicalize site


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