ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]benzoate | C18H27NO4

2-Methyl-2-propanyl 4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]benzoate

  • Molecular FormulaC18H27NO4
  • Average mass321.411 Da
  • Monoisotopic mass321.194000 Da
  • ChemSpider ID29356901

More details:

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

1334499-61-4 [RN]
2-Methyl-2-propanyl 4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]benzoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]benzoat [German] [ACD/IUPAC Name]
4-[2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]benzoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD20261460
tert-Butyl 4-(2-((tert-butoxycarbonyl)amino)ethyl)benzoate
TERT-BUTYL 4-(2-(BOC-AMINO)ETHYL)BENZOATE
TERT-BUTYL 4-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}ETHYL)BENZOATE
TERT-BUTYL 4-{2-[(TERT-BUTOXYCARBONYL)AMINO]ETHYL}BENZOATE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 441.2±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 69.8±3.0 kJ/mol
    Flash Point: 220.6±26.8 °C
    Index of Refraction: 1.502
    Molar Refractivity: 89.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.51
    ACD/LogD (pH 5.5): 4.60
    ACD/BCF (pH 5.5): 1859.54
    ACD/KOC (pH 5.5): 7617.94
    ACD/LogD (pH 7.4): 4.60
    ACD/BCF (pH 7.4): 1859.53
    ACD/KOC (pH 7.4): 7617.89
    Polar Surface Area: 65 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 36.7±3.0 dyne/cm
    Molar Volume: 304.6±3.0 cm3

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