ChemSpider 2D Image | clathridimine | C16H16N6O3

clathridimine

  • Molecular FormulaC16H16N6O3
  • Average mass340.337 Da
  • Monoisotopic mass340.128387 Da
  • ChemSpider ID25037504

More details:

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(5E)-2-Amino-5-{[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1H-imidazol-2-yl]imino}-3-methyl-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5E)-2-Amino-5-{[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1H-imidazol-2-yl]imino}-3-methyl-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5E)-2-Amino-5-{[4-(1,3-benzodioxol-5-ylméthyl)-1-méthyl-1H-imidazol-2-yl]imino}-3-méthyl-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
4H-Imidazol-4-one, 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1H-imidazol-2-yl]amino]-2,3-dihydro-2-imino-3-methyl- [ACD/Index Name]
clathridimine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 496.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 254.1±31.5 °C
Index of Refraction: 1.749
Molar Refractivity: 88.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.71
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.93
Polar Surface Area: 105 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 65.1±7.0 dyne/cm
Molar Volume: 217.1±7.0 cm3

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