ChemSpider 2D Image | N~4~-(2-Chlorophenyl)-N~2~-[4-(1H-tetrazol-5-yl)phenyl]-2,4-pyrimidinediamine | C17H13ClN8

N4-(2-Chlorophenyl)-N2-[4-(1H-tetrazol-5-yl)phenyl]-2,4-pyrimidinediamine

  • Molecular FormulaC17H13ClN8
  • Average mass364.792 Da
  • Monoisotopic mass364.095184 Da
  • ChemSpider ID28644055

More details:






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

2,4-Pyrimidinediamine, N4-(2-chlorophenyl)-N2-[4-(1H-tetrazol-5-yl)phenyl]- [ACD/Index Name]
N4-(2-Chlorophenyl)-N2-[4-(1H-tetrazol-5-yl)phenyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
N4-(2-Chlorophényl)-N2-[4-(1H-tétrazol-5-yl)phényl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
N4-(2-Chlorophenyl)-N2-[4-(1h-Tetrazol-5-Yl)phenyl]pyrimidine-2,4-Diamine
N4-(2-Chlorphenyl)-N2-[4-(1H-tetrazol-5-yl)phenyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
0C7
Bisanilinopyrimidine, 12a

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

Density: 1.5±0.1 g/cm3
Boiling Point: 633.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±34.3 °C
Index of Refraction: 1.753
Molar Refractivity: 99.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 7.31
ACD/KOC (pH 5.5): 56.61
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 16.68
Polar Surface Area: 104 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 243.2±3.0 cm3

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