ChemSpider 2D Image | 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile | C7H6N4

6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile

  • Molecular FormulaC7H6N4
  • Average mass146.149 Da
  • Monoisotopic mass146.059250 Da
  • ChemSpider ID22525041

More details:

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

5H-Pyrrolo[3,4-d]pyrimidine-2-carbonitrile, 6,7-dihydro- [ACD/Index Name]
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-carbonitril [German] [ACD/IUPAC Name]
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile [ACD/IUPAC Name]
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine-2-carbonitrile [French] [ACD/IUPAC Name]
947305-16-0 [RN]
5H,6H,7H-PYRROLO[3,4-D]PYRIMIDINE-2-CARBONITRILE
5H-Pyrrolo[3,4-d]pyrimidine-2-carbonitrile,6,7-dihydro-
AG18
AG-H-90864
AGN-PC-07HAZB
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 359.3±34.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 171.1±25.7 °C
    Index of Refraction: 1.624
    Molar Refractivity: 37.8±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -1.52
    ACD/LogD (pH 5.5): -0.75
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.16
    ACD/LogD (pH 7.4): -0.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 9.61
    Polar Surface Area: 62 Å2
    Polarizability: 15.0±0.5 10-24cm3
    Surface Tension: 79.3±5.0 dyne/cm
    Molar Volume: 107.0±5.0 cm3

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