ChemSpider 2D Image | Methyl 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]benzoate | C15H23N3O4

Methyl 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]benzoate

  • Molecular FormulaC15H23N3O4
  • Average mass309.361 Da
  • Monoisotopic mass309.168854 Da
  • ChemSpider ID29304480

More details:

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

1198093-71-8 [RN]
3-Amino-4-{[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-amino-4-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]amino]benzoate
Methyl 3-amino-4-{[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}benzoate [ACD/IUPAC Name]
Methyl-3-amino-4-{[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]amino}benzoat [German] [ACD/IUPAC Name]
methyl 3-amino-4-((2-((tert-butoxycarbonyl)amino)ethyl)amino)benzoate
Methyl 3-amino-4-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)benzoate
Methyl 3-amino-4-({2-[(tert-butoxycarbonyl)-amino]ethyl}amino)benzoate
methyl 3-amino-4-[(2-{[(tert-butoxy)carbonyl]amino}ethyl)amino]benzoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 509.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.0±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 23.99
ACD/KOC (pH 5.5): 333.66
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.21
ACD/KOC (pH 7.4): 350.55
Polar Surface Area: 103 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 260.4±3.0 cm3

Click to predict properties on the Chemicalize site


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