ChemSpider 2D Image | 4-(3-Amino-1H-1,2,4-triazol-1-yl)benzonitrile | C9H7N5

4-(3-Amino-1H-1,2,4-triazol-1-yl)benzonitrile

  • Molecular FormulaC9H7N5
  • Average mass185.185 Da
  • Monoisotopic mass185.070145 Da
  • ChemSpider ID28140823

More details:

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

4-(3-Amino-1H-1,2,4-triazol-1-yl)benzonitril [German] [ACD/IUPAC Name]
4-(3-Amino-1H-1,2,4-triazol-1-yl)benzonitrile [ACD/IUPAC Name]
4-(3-Amino-1H-1,2,4-triazol-1-yl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-(3-amino-1H-1,2,4-triazol-1-yl)- [ACD/Index Name]
1249222-99-8 [RN]
MFCD14594805

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

Density: 1.4±0.1 g/cm3
Boiling Point: 453.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±29.3 °C
Index of Refraction: 1.717
Molar Refractivity: 52.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 57.17
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 2.01
ACD/KOC (pH 7.4): 57.37
Polar Surface Area: 81 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 134.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement