ChemSpider 2D Image | tert-Butyl 2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate | C12H17N3O2

tert-Butyl 2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

  • Molecular FormulaC12H17N3O2
  • Average mass235.282 Da
  • Monoisotopic mass235.132080 Da
  • ChemSpider ID23499649

More details:






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

2-Methyl-2-propanyl 2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
2-Méthyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 5,7-dihydro-2-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
[1160995-19-6] [RN]
116099-51-5 [RN]
1160995-19-6 [RN]
2-Methyl-2-propanyl2-methyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
2-Methyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-28560]
    • Safety:

      20/21/22 Novochemy [NC-28560]
      20/21/36/37/39 Novochemy [NC-28560]
      GHS07; GHS09 Novochemy [NC-28560]
      H332; H403 Novochemy [NC-28560]
      IRRITANT Matrix Scientific 070338
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-28560]
      Warning Novochemy [NC-28560]
      Xn Novochemy [NC-28560]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 341.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 160.2±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.56
ACD/KOC (pH 5.5): 133.71
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.56
ACD/KOC (pH 7.4): 133.83
Polar Surface Area: 55 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 199.5±3.0 cm3

Click to predict properties on the Chemicalize site






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