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ChemSpider 2D Image | 4-(4-Chlorobenzyl)-1H-pyrazole-3,5-diamine | C10H11ClN4

4-(4-Chlorobenzyl)-1H-pyrazole-3,5-diamine

  • Molecular FormulaC10H11ClN4
  • Average mass222.674 Da
  • Monoisotopic mass222.067230 Da
  • ChemSpider ID23133915

More details:

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

1H-Pyrazole-3,5-diamine, 4-[(4-chlorophenyl)methyl]- [ACD/Index Name]
4-(4-Chlorbenzyl)-1H-pyrazol-3,5-diamin [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-1H-pyrazole-3,5-diamine [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-1H-pyrazole-3,5-diamine [French] [ACD/IUPAC Name]
109547-62-8 [RN]
4-(4-Chloro-benzyl)-1H-pyrazole-3,5-diamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL290358/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 504.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 259.0±28.7 °C
Index of Refraction: 1.712
Molar Refractivity: 61.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 5
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 3.51
ACD/KOC (pH 5.5): 58.71
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.71
ACD/KOC (pH 7.4): 212.65
Polar Surface Area: 81 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 73.6±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

Click to predict properties on the Chemicalize site


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