ChemSpider 2D Image | 4-{4-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-2-pyrimidinamine | C18H21N7

4-{4-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-2-pyrimidinamine

  • Molecular FormulaC18H21N7
  • Average mass335.406 Da
  • Monoisotopic mass335.185852 Da
  • ChemSpider ID22522570

More details:

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

2-Pyrimidinamine, 4-[4-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl]- [ACD/Index Name]
4-{4-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-{4-[(4-Phenyl-1H-1,2,3-triazol-1-yl)methyl]-1-piperidinyl}-2-pyrimidinamine [ACD/IUPAC Name]
4-{4-[(4-Phényl-1H-1,2,3-triazol-1-yl)méthyl]-1-pipéridinyl}-2-pyrimidinamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.7±65.0 °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: 332.2±34.3 °C
Index of Refraction: 1.724
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.90
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 3.04
ACD/KOC (pH 7.4): 38.70
Polar Surface Area: 86 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 60.5±7.0 dyne/cm
Molar Volume: 245.5±7.0 cm3

Click to predict properties on the Chemicalize site


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