ChemSpider 2D Image | 1-{1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanyl}-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid | C36H41N3O6

1-{1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanyl}-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid

  • Molecular FormulaC36H41N3O6
  • Average mass611.727 Da
  • Monoisotopic mass611.299561 Da
  • ChemSpider ID58782813

More details:

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

1-{1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanyl}-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridincarbonsäure [German] [ACD/IUPAC Name]
1-{1-[(3,3-Diphenylpropyl)(methyl)amino]-2-methyl-2-propanyl}-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylic acid [ACD/IUPAC Name]
3,5-Pyridinedicarboxylic acid, 1-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl]-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, monomethyl ester [ACD/Index Name]
Acide 1-{1-[(3,3-diphénylpropyl)(méthyl)amino]-2-méthyl-2-propanyl}-5-(méthoxycarbonyl)-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.6±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 172.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.32
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 173.20
ACD/KOC (pH 5.5): 243.99
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 253.65
ACD/KOC (pH 7.4): 357.31
Polar Surface Area: 116 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 506.0±3.0 cm3

Click to predict properties on the Chemicalize site


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