ChemSpider 2D Image | Benidipine | C28H31N3O6

Benidipine

  • Molecular FormulaC28H31N3O6
  • Average mass505.562 Da
  • Monoisotopic mass505.221283 Da
  • ChemSpider ID571013
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(3R)-1-Benzyl-3-piperidinyl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
(3R)-1-Benzyl-3-piperidinyl-methyl-(4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
(3R)-1-Benzylpiperidin-3-yl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
(4R)-2,6-Diméthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de (3R)-1-benzyl-3-pipéridinyle et de méthyle [French] [ACD/IUPAC Name]
(R*,R*)-(±)-1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic Acid Methyl 1-(Phenylmethyl)-3-piperidinyl Ester
105979-17-7 [RN]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester, (4R)- [ACD/Index Name]
6137
Benidipene
Benidipine [INN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4G9T91JS7E [DBID]
KW 3049 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 625.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 15.70
ACD/KOC (pH 5.5): 51.68
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 802.75
ACD/KOC (pH 7.4): 2641.92
Polar Surface Area: 114 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 58.0±5.0 dyne/cm
Molar Volume: 390.8±5.0 cm3

Click to predict properties on the Chemicalize site






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