ChemSpider 2D Image | 3-[(3-Iodo-5-nitrobenzyl)(methyl)amino]-2-methylpropanoic acid | C12H15IN2O4

3-[(3-Iodo-5-nitrobenzyl)(methyl)amino]-2-methylpropanoic acid

  • Molecular FormulaC12H15IN2O4
  • Average mass378.163 Da
  • Monoisotopic mass378.007629 Da
  • ChemSpider ID57935096

More details:

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

3-[(3-Iod-5-nitrobenzyl)(methyl)amino]-2-methylpropansäure [German] [ACD/IUPAC Name]
3-[(3-Iodo-5-nitrobenzyl)(methyl)amino]-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 3-[(3-iodo-5-nitrobenzyl)(méthyl)amino]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[(3-iodo-5-nitrophenyl)methyl]methylamino]-2-methyl- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 467.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.4±28.7 °C
Index of Refraction: 1.622
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.48
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.11
Polar Surface Area: 86 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 224.4±3.0 cm3

Click to predict properties on the Chemicalize site


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