ChemSpider 2D Image | 4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-5-carbonitrile | C13H13N3O

4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-5-carbonitrile

  • Molecular FormulaC13H13N3O
  • Average mass227.262 Da
  • Monoisotopic mass227.105865 Da
  • ChemSpider ID26403795

More details:

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

1272756-16-7 [RN]
4'-Oxo-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinazoline]-5'-carbonitril [German] [ACD/IUPAC Name]
4'-Oxo-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinazoline]-5'-carbonitrile [ACD/IUPAC Name]
4'-Oxo-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinazoline]-5'-carbonitrile [French] [ACD/IUPAC Name]
4-Oxospiro[1,2,3,4-tetrahydroquinazoline-2,1'-cyclopentane]-5-carbonitrile
Spiro[cyclopentane-1,2'(1'H)-quinazoline]-5'-carbonitrile, 3',4'-dihydro-4'-oxo- [ACD/Index Name]
(S)-1-Boc-2-butyl-piperazine
(S)-tert-Butyl 2-butylpiperazine-1-carboxylate
[1272756-16-7] [RN]
122536-77-0 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 547.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.6±3.0 kJ/mol
    Flash Point: 284.7±30.1 °C
    Index of Refraction: 1.640
    Molar Refractivity: 62.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.04
    ACD/LogD (pH 5.5): 1.52
    ACD/BCF (pH 5.5): 8.45
    ACD/KOC (pH 5.5): 160.35
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 8.45
    ACD/KOC (pH 7.4): 160.35
    Polar Surface Area: 65 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 63.3±5.0 dyne/cm
    Molar Volume: 173.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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