ChemSpider 2D Image | N-[3-(1H-Benzotriazol-1-yl)propyl]-5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamine | C18H20N8

N-[3-(1H-Benzotriazol-1-yl)propyl]-5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamine

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID22503276

More details:






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

1H-1,2,3-Benzotriazole-1-propanamine, N-[5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinyl]- [ACD/Index Name]
N-[3-(1H-Benzotriazol-1-yl)propyl]-5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
N-[3-(1H-Benzotriazol-1-yl)propyl]-5-methyl-4-(1-methyl-1H-pyrazol-4-yl)-2-pyrimidinamine [ACD/IUPAC Name]
N-[3-(1H-Benzotriazol-1-yl)propyl]-5-méthyl-4-(1-méthyl-1H-pyrazol-4-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-[3-(1H-1,2,3-benzotriazol-1-yl)propyl]-5-methyl-4-(1-methyl-1H-pyrazol-4-yl)pyrimidin-2-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.2±34.3 °C
Index of Refraction: 1.719
Molar Refractivity: 101.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.20
ACD/KOC (pH 5.5): 487.07
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.96
ACD/KOC (pH 7.4): 496.22
Polar Surface Area: 86 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 256.3±7.0 cm3

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