ChemSpider 2D Image | (2S)-2-Cyano-3-(1H-indazol-5-yl)propanamide | C11H10N4O

(2S)-2-Cyano-3-(1H-indazol-5-yl)propanamide

  • Molecular FormulaC11H10N4O
  • Average mass214.223 Da
  • Monoisotopic mass214.085464 Da
  • ChemSpider ID35033670
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-2-Cyan-3-(1H-indazol-5-yl)propanamid [German] [ACD/IUPAC Name]
(2S)-2-Cyano-3-(1H-indazol-5-yl)propanamide [ACD/IUPAC Name]
(2S)-2-Cyano-3-(1H-indazol-5-yl)propanamide [French] [ACD/IUPAC Name]
1H-Indazole-5-propanamide, α-cyano-, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 572.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.2±28.7 °C
Index of Refraction: 1.682
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 96 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 77.1±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site






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