ChemSpider 2D Image | Di-tert-butyl [4-(diphenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]malonate | C31H39N5O4

Di-tert-butyl [4-(diphenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]malonate

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID3468886

More details:

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

[4-(Diphénylamino)-6-(1-pipéridinyl)-1,3,5-triazin-2-yl]malonate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl) [4-(diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]malonate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-[4-(diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]malonat [German] [ACD/IUPAC Name]
Di-tert-butyl [4-(diphenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]malonate
Propanedioic acid, 2-[4-(diphenylamino)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]-, bis(1,1-dimethylethyl) ester [ACD/Index Name]
2-(4-Diphenylamino-6-piperidin-1-yl-[1,3,5]triazin-2-yl)-malonic acid di-tert-butyl ester
di-tert-butyl [4-(diphenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]propanedioate
DITERT-BUTYL 2-[4-(N-PHENYLANILINO)-6-PIPERIDIN-1-YL-1,3,5-TRIAZIN-2-YL]PROPANEDIOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 153.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 7009.31
ACD/KOC (pH 5.5): 13867.12
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 6369.69
ACD/KOC (pH 7.4): 12601.73
Polar Surface Area: 98 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 461.7±3.0 cm3

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