ChemSpider 2D Image | tert-Butyl N-(3-isopropoxypropyl)-beta-alaninate | C13H27NO3

tert-Butyl N-(3-isopropoxypropyl)-β-alaninate

  • Molecular FormulaC13H27NO3
  • Average mass245.358 Da
  • Monoisotopic mass245.199097 Da
  • ChemSpider ID24531611

More details:

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

2-Methyl-2-propanyl N-(3-isopropoxypropyl)-β-alaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-(3-isopropoxypropyl)-β-alaninat [German] [ACD/IUPAC Name]
N-(3-Isopropoxypropyl)-β-alaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-Butyl N-(3-isopropoxypropyl)-β-alaninate
β-Alanine, N-[3-(1-methylethoxy)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
1221342-33-1 [RN]
atoms 17 bonds 16
MFCD14707425
tert-butyl 3-((3-isopropoxypropyl)amino)propanoate
tert-butyl 3-(3-isopropoxypropylamino)propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.9±0.1 g/cm3
    Boiling Point: 309.3±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.0±3.0 kJ/mol
    Flash Point: 140.9±23.7 °C
    Index of Refraction: 1.442
    Molar Refractivity: 69.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 1.74
    ACD/LogD (pH 5.5): -0.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.32
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 5.64
    Polar Surface Area: 48 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 30.1±3.0 dyne/cm
    Molar Volume: 262.2±3.0 cm3

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