ChemSpider 2D Image | 3-(4-Allyl-1-piperazinyl)-2,2-dimethylpropyl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate | C28H38N4O6

3-(4-Allyl-1-piperazinyl)-2,2-dimethylpropyl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC28H38N4O6
  • Average mass526.625 Da
  • Monoisotopic mass526.279114 Da
  • ChemSpider ID34988557

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 3-(4-allyl-1-pipérazinyl)-2,2-diméthylpropyle et de méthyle [French] [ACD/IUPAC Name]
3-(4-Allyl-1-piperazinyl)-2,2-dimethylpropyl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-(4-Allyl-1-piperazinyl)-2,2-dimethylpropyl-methyl-(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2,2-dimethyl-3-[4-(2-propen-1-yl)-1-piperazinyl]propyl methyl ester, (4R)- [ACD/Index Name]
119687-33-1 [RN]
iganidipine [INN]
UNII-9FPE98DLZ5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 641.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.8±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 143.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 18.25
ACD/KOC (pH 5.5): 81.57
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 690.76
ACD/KOC (pH 7.4): 3087.17
Polar Surface Area: 117 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 452.1±3.0 cm3

Click to predict properties on the Chemicalize site


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