ChemSpider 2D Image | tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate | C15H20BrNO2

tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

  • Molecular FormulaC15H20BrNO2
  • Average mass326.229 Da
  • Monoisotopic mass325.067749 Da
  • ChemSpider ID26546652

More details:

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

1-Pyrrolidinecarboxylic acid, 2-(4-bromophenyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(4-Bromophényl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(4-bromophenyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(4-bromphenyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
943750-38-7 [RN]
tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
[943750-38-7] [RN]
2-(4-bromophenyl)pyrrolidine-1-carboxylic acid tert-butyl ester
2-(4-Bromo-phenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
2,3-Dimethylcyclohexanol [ACD/IUPAC Name]

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

  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-16996]
    • Safety:

      20/21/22 Novochemy [NC-16996]
      20/21/36/37/39 Novochemy [NC-16996]
      GHS07; GHS09 Novochemy [NC-16996]
      H332; H403 Novochemy [NC-16996]
      IRRITANT Matrix Scientific 097385
      P301+P310; P337+P313 Novochemy [NC-16996]
      Warning Novochemy [NC-16996]
      Xn Novochemy [NC-16996]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 382.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 185.3±27.9 °C
Index of Refraction: 1.551
Molar Refractivity: 79.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 739.84
ACD/KOC (pH 5.5): 3938.50
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 739.84
ACD/KOC (pH 7.4): 3938.50
Polar Surface Area: 30 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 247.3±3.0 cm3

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