ChemSpider 2D Image | N-Methoxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-beta-alanine | C9H17NO5

N-Methoxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanine

  • Molecular FormulaC9H17NO5
  • Average mass219.235 Da
  • Monoisotopic mass219.110672 Da
  • ChemSpider ID24765206

More details:






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

N-Methoxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanin [German] [ACD/IUPAC Name]
N-Methoxy-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-β-alanine [ACD/IUPAC Name]
N-Méthoxy-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-N-methoxy- [ACD/Index Name]
[172299-81-9]
1072102-65-8 [RN]
172299-81-9 [RN]
'172299-81-9
3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid
3-((tert-Butoxycarbonyl)(methoxy)amino)propanoicacid
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-21127]
    • Safety:

      20/21/22 Novochemy [NC-21127]
      20/21/36/37/39 Novochemy [NC-21127]
      GHS07; GHS09 Novochemy [NC-21127]
      H332; H403 Novochemy [NC-21127]
      P309+P311; P211; P242 Novochemy [NC-21127]
      R52/53 Novochemy [NC-21127]
      Warning Novochemy [NC-21127]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 327.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.7±6.0 kJ/mol
Flash Point: 152.0±23.2 °C
Index of Refraction: 1.468
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.74
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

Click to predict properties on the Chemicalize site






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