ChemSpider 2D Image | Ethyl 2-methyl-5-(2-methyl-2-propanyl)-1-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrrole-3-carboxylate | C19H32N2O4

Ethyl 2-methyl-5-(2-methyl-2-propanyl)-1-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrrole-3-carboxylate

  • Molecular FormulaC19H32N2O4
  • Average mass352.468 Da
  • Monoisotopic mass352.236206 Da
  • ChemSpider ID29304625

More details:

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

1H-Pyrrole-3-carboxylic acid, 1-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-5-(1,1-dimethylethyl)-2-methyl-, ethyl ester [ACD/Index Name]
2-Méthyl-5-(2-méthyl-2-propanyl)-1-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-methyl-5-(2-methyl-2-propanyl)-1-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-methyl-5-(2-methyl-2-propanyl)-1-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
1305711-45-8 [RN]
ETHYL 1-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}ETHYL)-5-TERT-BUTYL-2-METHYL-1H-PYRROLE-3-CARBOXYLATE
ETHYL 1-{2-[(TERT-BUTOXYCARBONYL)AMINO]ETHYL}-5-TERT-BUTYL-2-METHYLPYRROLE-3-CARBOXYLATE
MFCD11111414 [MDL number]
MFCD23159169
tert-Butyl 2-(2-tert-butyl-3-ethoxycarbonyl-5-methyl-1H-pyrrol-1-yl)ethylcarbamate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 460.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.5±28.7 °C
Index of Refraction: 1.498
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1782.04
ACD/KOC (pH 5.5): 7389.31
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1781.94
ACD/KOC (pH 7.4): 7388.91
Polar Surface Area: 70 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 32.9±7.0 dyne/cm
Molar Volume: 336.7±7.0 cm3

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