ChemSpider 2D Image | 2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-5-yl)-1-azetidinecarboxylate | C11H18N4O2

2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-5-yl)-1-azetidinecarboxylate

  • Molecular FormulaC11H18N4O2
  • Average mass238.286 Da
  • Monoisotopic mass238.142975 Da
  • ChemSpider ID32056184

More details:






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

1346674-11-0 [RN]
1-Azetidinecarboxylic acid, 3-(3-amino-1H-pyrazol-5-yl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1-Azetidinecarboxylic acid, 3-(5-amino-1H-pyrazol-3-yl)-, 1,1-dimethylethyl ester
2-Methyl-2-propanyl 3-(3-amino-1H-pyrazol-5-yl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(3-amino-1H-pyrazol-5-yl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(3-Amino-1H-pyrazol-5-yl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
3-(5-Amino-1H-pyrazol-3-yl)-azetidine-1-carboxylic acid tert-butyl ester
MFCD23105880 [MDL number]
tert-Butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
TERT-BUTYL 3-(5-AMINO-1H-PYRAZOL-3-YL)AZETIDINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 442.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.7±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 63.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.07
ACD/KOC (pH 5.5): 73.42
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 89.29
Polar Surface Area: 84 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 187.2±3.0 cm3

Click to predict properties on the Chemicalize site






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