ChemSpider 2D Image | tert-Butyl 2-cyclopropyl-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate | C14H19N3O2

tert-Butyl 2-cyclopropyl-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

  • Molecular FormulaC14H19N3O2
  • Average mass261.320 Da
  • Monoisotopic mass261.147736 Da
  • ChemSpider ID29339851

More details:

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

1289267-20-4 [RN]
2-Cyclopropyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-cyclopropyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-cyclopropyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-cyclopropyl-5,7-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 2-cyclopropyl-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
2-cyclopropyl-5,7-dihydro-pyrrolo[3,4-d]pyrimidine-6-carboxylic acid tert-butyl ester
MFCD22565648 [MDL number]
tert-Butyl 2-cyclopropyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
tert-butyl 2-cyclopropyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate

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

CCRIS 4693 [DBID]
  • Miscellaneous

    • Appearance:

      Not Available Novochemy [NC-32738]

    • Safety:

      20/21/22 Novochemy [NC-32738]
      20/21/36/37/39 Novochemy [NC-32738]
      GHS07; GHS09 Novochemy [NC-32738]
      H332; H403 Novochemy [NC-32738]
      P332+P313; P305+P351+P338 Novochemy [NC-32738]
      R52/53 Novochemy [NC-32738]
      Warning Novochemy [NC-32738]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.7±27.9 °C
Index of Refraction: 1.581
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.61
ACD/KOC (pH 5.5): 201.21
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.62
ACD/KOC (pH 7.4): 201.37
Polar Surface Area: 55 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 211.2±3.0 cm3

Click to predict properties on the Chemicalize site


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