ChemSpider 2D Image | 2-Methyl-2-propanyl 3-hydroxy-3-(nitromethyl)-1-azetidinecarboxylate | C9H16N2O5

2-Methyl-2-propanyl 3-hydroxy-3-(nitromethyl)-1-azetidinecarboxylate

  • Molecular FormulaC9H16N2O5
  • Average mass232.234 Da
  • Monoisotopic mass232.105927 Da
  • ChemSpider ID27473426

More details:






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

1-Azetidinecarboxylic acid, 3-hydroxy-3-(nitromethyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-hydroxy-3-(nitromethyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-hydroxy-3-(nitromethyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-Hydroxy-3-(nitrométhyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1008526-70-2 [RN]
1-Boc-3-hydroxy-3-(nitromethyl)azetidine
1-boc-3-hydroxy-3-(nitromethyl)azetidine(wx640373)
3-Hydroxy-3-(nitromethyl)-1-azetidinecarboxylic acid tert-butyl ester; 3-Hydroxy-3-(nitromethyl)-azetidine-1-carboxylic acid tert-butyl ester
3-Hydroxy-3-(nitromethyl)azetidine-1-carboxylic acid tert-butyl ester
AGN-PC-0BSYW0
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 362.2±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.4±6.0 kJ/mol
Flash Point: 172.9±23.7 °C
Index of Refraction: 1.522
Molar Refractivity: 54.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.29
ACD/KOC (pH 5.5): 41.80
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.84
Polar Surface Area: 96 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 178.5±3.0 cm3

Click to predict properties on the Chemicalize site






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