ChemSpider 2D Image | 2-Methyl-2-propanyl 3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidine]-1'-carboxylate | C18H25NO3

2-Methyl-2-propanyl 3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidine]-1'-carboxylate

  • Molecular FormulaC18H25NO3
  • Average mass303.396 Da
  • Monoisotopic mass303.183441 Da
  • ChemSpider ID28290219

More details:

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

2-Methyl-2-propanyl 3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidine]-1'-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,4-dihydro-1'H-spiro[isochromene-1,4'-piperidine]-1'-carboxylat [German] [ACD/IUPAC Name]
3,4-Dihydro-1'H-spiro[isochromene-1,4'-piperidine]-1'-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Spiro[1H-2-benzopyran-1,4'-piperidine]-1'-carboxylic acid, 3,4-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
909034-76-0 [RN]
MFCD20921941 [MDL number]
tert-Butyl 3,4-dihydro-1'H-spiro[2-benzopyran-1,4'-piperidine]-1'-carboxylate

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

  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-29235]
    • Safety:

      20/21/22 Novochemy [NC-29235]
      20/21/36/37/39 Novochemy [NC-29235]
      GHS07; GHS09 Novochemy [NC-29235]
      H332; H403 Novochemy [NC-29235]
      P301+P310; P337+P313 Novochemy [NC-29235]
      Warning Novochemy [NC-29235]
      Xn Novochemy [NC-29235]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 425.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.0±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 85.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 753.27
ACD/KOC (pH 5.5): 3989.55
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 753.27
ACD/KOC (pH 7.4): 3989.55
Polar Surface Area: 39 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 265.3±5.0 cm3

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