ChemSpider 2D Image | 4-Carboxymethyl-3-methyl-piperazine-1-carboxylic acid tert-butyl ester | C12H22N2O4

4-Carboxymethyl-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

  • Molecular FormulaC12H22N2O4
  • Average mass258.314 Da
  • Monoisotopic mass258.157959 Da
  • ChemSpider ID24765545

More details:

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

(2-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)acetic acid [ACD/IUPAC Name]
(2-Methyl-4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)essigsäure [German] [ACD/IUPAC Name]
1-Piperazineacetic acid, 4-[(1,1-dimethylethoxy)carbonyl]-2-methyl- [ACD/Index Name]
4-Carboxymethyl-3-methyl-piperazine-1-carboxylic acid tert-butyl ester
666853-16-3 [RN]
Acide (2-méthyl-4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)acétique [French] [ACD/IUPAC Name]
[4-(tert-Butoxycarbonyl)-2-methylpiperazin-1-yl]acetic acid
[666853-16-3] [RN]
2-(4-(Boc)-2-Methylpiperazin-1-yl)acetic acid
2-(4-(t-Butoxycarbonyl)-2-methylpiperazin-1-yl)acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 371.9±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 68.0±6.0 kJ/mol
    Flash Point: 178.7±26.5 °C
    Index of Refraction: 1.491
    Molar Refractivity: 66.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.41
    ACD/LogD (pH 5.5): -0.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.42
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 70 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 40.7±3.0 dyne/cm
    Molar Volume: 227.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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