ChemSpider 2D Image | Benzyl 4,7-diazaspiro[2.5]octane-7-carboxylate | C14H18N2O2

Benzyl 4,7-diazaspiro[2.5]octane-7-carboxylate

  • Molecular FormulaC14H18N2O2
  • Average mass246.305 Da
  • Monoisotopic mass246.136826 Da
  • ChemSpider ID23078449

More details:

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

4,7-Diazaspiro[2.5]octane-7-carboxylate de benzyle [French] [ACD/IUPAC Name]
4,7-Diaza-spiro[2.5]octane-7-carboxylic acid benzyl ester
4,7-Diazaspiro[2.5]octane-7-carboxylic acid, phenylmethyl ester [ACD/Index Name]
954240-30-3 [RN]
Benzyl 4,7-diazaspiro[2.5]octane-7-carboxylate [ACD/IUPAC Name]
Benzyl-4,7-diazaspiro[2.5]octan-7-carboxylat [German] [ACD/IUPAC Name]
[954240-30-3] [RN]
Benzyl4,7-diazaspiro[2.5]octane-7-carboxylate
CS-13006
MFCD09701337 [MDL number]

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: 1.2±0.1 g/cm3
    Boiling Point: 391.7±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±3.0 kJ/mol
    Flash Point: 190.7±24.6 °C
    Index of Refraction: 1.601
    Molar Refractivity: 69.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): -0.73
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.97
    ACD/BCF (pH 7.4): 2.06
    ACD/KOC (pH 7.4): 34.39
    Polar Surface Area: 42 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 201.8±5.0 cm3

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