ChemSpider 2D Image | 3-Chloro-N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]aniline | C12H13Cl2N3

3-Chloro-N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]aniline

  • Molecular FormulaC12H13Cl2N3
  • Average mass270.158 Da
  • Monoisotopic mass269.048645 Da
  • ChemSpider ID30105939

More details:

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

1H-Pyrazole-4-methanamine, 5-chloro-N-(3-chlorophenyl)-1,3-dimethyl- [ACD/Index Name]
3-Chlor-N-[(5-chlor-1,3-dimethyl-1H-pyrazol-4-yl)methyl]anilin [German] [ACD/IUPAC Name]
3-Chloro-N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]aniline [ACD/IUPAC Name]
3-Chloro-N-[(5-chloro-1,3-diméthyl-1H-pyrazol-4-yl)méthyl]aniline [French] [ACD/IUPAC Name]
1241466-28-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 410.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.3±27.3 °C
Index of Refraction: 1.613
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 867.49
ACD/KOC (pH 5.5): 4412.01
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 868.71
ACD/KOC (pH 7.4): 4418.21
Polar Surface Area: 30 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 205.9±7.0 cm3

Click to predict properties on the Chemicalize site


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