ChemSpider 2D Image | N-(3-Iodo-2-methyl-5-nitrobenzoyl)-N-methyl-beta-alanine | C12H13IN2O5

N-(3-Iodo-2-methyl-5-nitrobenzoyl)-N-methyl-β-alanine

  • Molecular FormulaC12H13IN2O5
  • Average mass392.147 Da
  • Monoisotopic mass391.986908 Da
  • ChemSpider ID58031482

More details:

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

N-(3-Iod-2-methyl-5-nitrobenzoyl)-N-methyl-β-alanin [German] [ACD/IUPAC Name]
N-(3-Iodo-2-methyl-5-nitrobenzoyl)-N-methyl-β-alanine [ACD/IUPAC Name]
N-(3-Iodo-2-méthyl-5-nitrobenzoyl)-N-méthyl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-(3-iodo-2-methyl-5-nitrobenzoyl)-N-methyl- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 586.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.5±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.93
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 222.6±3.0 cm3

Click to predict properties on the Chemicalize site


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