ChemSpider 2D Image | 3-methyl-3h-diazirine-3-propanoic acid | C5H8N2O2

3-methyl-3h-diazirine-3-propanoic acid

  • Molecular FormulaC5H8N2O2
  • Average mass128.129 Da
  • Monoisotopic mass128.058578 Da
  • ChemSpider ID32988624

More details:

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

25055-86-1 [RN]
3-(3-Methyl-3H-diaziren-3-yl)propanoic acid [ACD/IUPAC Name]
3-(3-Methyl-3H-diaziren-3-yl)propansäure [German] [ACD/IUPAC Name]
3-(3-methyl-3H-diazirin-3-yl)propanoic acid
3H-Diazirine-3-propanoic acid, 3-methyl- [ACD/Index Name]
3-methyl-3h-diazirine-3-propanoic acid
Acide 3-(3-méthyl-3H-diazirén-3-yl)propanoïque [French] [ACD/IUPAC Name]
1877901-11-5 [RN]
3-(3-Methyl-3H-diazirin-3-yl)propanoic-acid
3-(3-methyldiazirin-3-yl)propanoic acid
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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: 233.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 51.7±6.0 kJ/mol
    Flash Point: 94.7±25.1 °C
    Index of Refraction: 1.588
    Molar Refractivity: 31.2±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): -0.20
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.51
    ACD/LogD (pH 7.4): -2.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 62 Å2
    Polarizability: 12.4±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 92.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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