ChemSpider 2D Image | N-Benzyl-N-[2-({[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinyl]carbonyl}oxy)ethyl]anilinium | C34H39N3O7P

N-Benzyl-N-[2-({[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinyl]carbonyl}oxy)ethyl]anilinium

  • Molecular FormulaC34H39N3O7P
  • Average mass632.663 Da
  • Monoisotopic mass632.252014 Da
  • ChemSpider ID21258625

  • Charge - Charge

More details:

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

3-Pyridinecarboxylic acid, 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphorinan-2-yl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 2-[phenyl(phenylmethyl)amino]ethyl ester, conjugate monoacid [ACD/Index Name]
N-Benzyl-N-[2-({[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinyl]carbonyl}oxy)ethyl]anilinium [ACD/IUPAC Name]
N-Benzyl-N-[2-({[5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinyl]carbonyl}oxy)ethyl]anilinium [German] [ACD/IUPAC Name]
N-Benzyl-N-[2-({[5-(5,5-diméthyl-2-oxydo-1,3,2-dioxaphosphinan-2-yl)-2,6-diméthyl-4-(3-nitrophényl)-1,4-dihydro-3-pyridinyl]carbonyl}oxy)éthyl]anilinium [French] [ACD/IUPAC Name]

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

Density:
Boiling Point: 746.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.9±3.0 kJ/mol
Flash Point: 405.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 25541.40
ACD/KOC (pH 5.5): 49142.45
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 26548.20
ACD/KOC (pH 7.4): 51079.56
Polar Surface Area: 134 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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