ChemSpider 2D Image | 2-Methyl-2-propanyl (1R,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | C10H18N2O2

2-Methyl-2-propanyl (1R,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

  • Molecular FormulaC10H18N2O2
  • Average mass198.262 Da
  • Monoisotopic mass198.136826 Da
  • ChemSpider ID27471742

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-2,5-Diazabicyclo[2.2.1]heptane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid, 1,1-dimethylethyl ester, (1R,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (1R,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1R,4S)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylat [German] [ACD/IUPAC Name]
(1S,4S)-2-BOC-2,5-DIAZABICYCLO[2.2.1]HEPTANE
198989-07-0 [RN]
N-Boc-2,5-diaza-bicyclo[2.2.1]heptane

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 276.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.5±3.0 kJ/mol
Flash Point: 120.9±20.4 °C
Index of Refraction: 1.501
Molar Refractivity: 52.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -1.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.01
Polar Surface Area: 42 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 179.5±3.0 cm3

Click to predict properties on the Chemicalize site


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