ChemSpider 2D Image | tert-butyl 3-[(3-methoxypropyl)amino]-2-methylpropanoate | C12H25NO3

tert-butyl 3-[(3-methoxypropyl)amino]-2-methylpropanoate

  • Molecular FormulaC12H25NO3
  • Average mass231.332 Da
  • Monoisotopic mass231.183441 Da
  • ChemSpider ID24531641

More details:

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

2-Methyl-2-propanyl 3-[(3-methoxypropyl)amino]-2-methylpropanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(3-methoxypropyl)amino]-2-methylpropanoat [German] [ACD/IUPAC Name]
3-[(3-Méthoxypropyl)amino]-2-méthylpropanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Propanoic acid, 3-[(3-methoxypropyl)amino]-2-methyl-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 3-[(3-methoxypropyl)amino]-2-methylpropanoate
1221346-40-2 [RN]
atoms 16 bonds 15
MFCD14707456
tert-butyl 3-((3-methoxypropyl)amino)-2-methylpropanoate
tert-butyl 3-(3-methoxypropylamino)-2-methylpropanoate
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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: 292.1±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 53.2±3.0 kJ/mol
    Flash Point: 130.5±23.2 °C
    Index of Refraction: 1.439
    Molar Refractivity: 64.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.21
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.09
    Polar Surface Area: 48 Å2
    Polarizability: 25.6±0.5 10-24cm3
    Surface Tension: 29.9±3.0 dyne/cm
    Molar Volume: 245.7±3.0 cm3

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