ChemSpider 2D Image | 3-Amino-5-anilino-N-carbamimidoyl-6-chloro-2-pyrazinecarboxamide | C12H12ClN7O

3-Amino-5-anilino-N-carbamimidoyl-6-chloro-2-pyrazinecarboxamide

  • Molecular FormulaC12H12ClN7O
  • Average mass305.723 Da
  • Monoisotopic mass305.079193 Da
  • ChemSpider ID24693561

More details:

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

2-Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-(phenylamino)- [ACD/Index Name]
3-Amino-5-anilino-N-carbamimidoyl-6-chlor-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3-Amino-5-anilino-N-carbamimidoyl-6-chloro-2-pyrazinecarboxamide [ACD/IUPAC Name]
3-Amino-5-anilino-N-carbamimidoyl-6-chloro-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL466922/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 578.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.9±32.9 °C
Index of Refraction: 1.763
Molar Refractivity: 76.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 44.92
ACD/KOC (pH 5.5): 530.13
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 44.94
ACD/KOC (pH 7.4): 530.34
Polar Surface Area: 145 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 75.0±7.0 dyne/cm
Molar Volume: 184.6±7.0 cm3

Click to predict properties on the Chemicalize site


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