ChemSpider 2D Image | (2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-aziridinecarboxylic acid | C8H13NO4

(2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-aziridinecarboxylic acid

  • Molecular FormulaC8H13NO4
  • Average mass187.193 Da
  • Monoisotopic mass187.084457 Da
  • ChemSpider ID24765212

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-aziridincarbonsäure [German] [ACD/IUPAC Name]
(2S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-aziridinecarboxylic acid [ACD/IUPAC Name]
1,2-Aziridinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
1315000-92-0 [RN]
181212-91-9 [RN]
Acide (2S)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-aziridinecarboxylique [French] [ACD/IUPAC Name]
(2S)-1-(tert-Butoxycarbonyl)aziridine-2-carboxylic acid
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]aziridine-2-carboxylic acid
(2S)-1-[(TERT-BUTOXY)CARBONYL]AZIRIDINE-2-CARBOXYLIC ACID
(2S)-1-Boc-aziridine-2-carboxylic acid
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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: 304.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 60.0±6.0 kJ/mol
    Flash Point: 138.1±25.9 °C
    Index of Refraction: 1.520
    Molar Refractivity: 43.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.09
    ACD/LogD (pH 5.5): -1.25
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.05
    ACD/LogD (pH 7.4): -2.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 17.3±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 143.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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