ChemSpider 2D Image | 2,2-dimethyl-3-(4-methyl-1,4-diazepane-1-carbonyl)cyclopropanecarboxylic acid | C13H22N2O3

2,2-dimethyl-3-(4-methyl-1,4-diazepane-1-carbonyl)cyclopropanecarboxylic acid

  • Molecular FormulaC13H22N2O3
  • Average mass254.325 Da
  • Monoisotopic mass254.163040 Da
  • ChemSpider ID21800906

More details:

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

1142215-33-5 [RN]
2,2-dimethyl-3-(4-methyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
2,2-dimethyl-3-(4-methyl-1,4-diazepane-1-carbonyl)cyclopropanecarboxylic acid
2,2-Dimethyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
2,2-Dimethyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide 2,2-diméthyl-3-[(4-méthyl-1,4-diazépan-1-yl)carbonyl]cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)carbonyl]-2,2-dimethyl- [ACD/Index Name]
[1142215-33-5] [RN]
2,2-Dimethyl-3-(4-methyl-[1,4]diazepane-1-carbonyl)-cyclopropanecarboxylic acid
2,2-dimethyl-3-[(4-methyl(1,4-diazaperhydroepinyl))carbonyl]cyclopropanecarboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12027563 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 421.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±6.0 kJ/mol
    Flash Point: 209.0±28.7 °C
    Index of Refraction: 1.526
    Molar Refractivity: 66.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.27
    ACD/LogD (pH 5.5): -1.67
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.68
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 61 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 45.2±3.0 dyne/cm
    Molar Volume: 217.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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