ChemSpider 2D Image | Methyl 2-[(4-aminobenzyl)amino]-5-nitrobenzoate | C15H15N3O4

Methyl 2-[(4-aminobenzyl)amino]-5-nitrobenzoate

  • Molecular FormulaC15H15N3O4
  • Average mass301.297 Da
  • Monoisotopic mass301.106262 Da
  • ChemSpider ID26052605

More details:

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

2-[(4-Aminobenzyl)amino]-5-nitrobenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(4-aminophenyl)methyl]amino]-5-nitro-, methyl ester [ACD/Index Name]
Methyl 2-[(4-aminobenzyl)amino]-5-nitrobenzoate [ACD/IUPAC Name]
Methyl-2-[(4-aminobenzyl)amino]-5-nitrobenzoat [German] [ACD/IUPAC Name]
1228183-73-0 [RN]
4-Amino-N-[2-(methoxycarbonyl)-4-nitrophenyl]benzylamine
CE-0730
Methyl 2-((4-aminobenzyl)amino)-5-nitrobenzoate
Methyl 2-[(4-aminobenzyl)amino]-5-nitrobenzenecarboxylate
methyl 2-[(4-aminophenyl)methylamino]-5-nitrobenzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 499.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±3.0 kJ/mol
    Flash Point: 255.6±27.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 82.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): 3.16
    ACD/BCF (pH 5.5): 145.78
    ACD/KOC (pH 5.5): 1211.98
    ACD/LogD (pH 7.4): 3.18
    ACD/BCF (pH 7.4): 154.05
    ACD/KOC (pH 7.4): 1280.69
    Polar Surface Area: 110 Å2
    Polarizability: 32.9±0.5 10-24cm3
    Surface Tension: 63.1±3.0 dyne/cm
    Molar Volume: 221.6±3.0 cm3

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