ChemSpider 2D Image | 2-Methyl-2-propanyl (5R,8S)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate | C13H23FN2O2

2-Methyl-2-propanyl (5R,8S)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate

  • Molecular FormulaC13H23FN2O2
  • Average mass258.332 Da
  • Monoisotopic mass258.174347 Da
  • ChemSpider ID57390850

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5R,8S)-7-Amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Azaspiro[4.4]nonane-2-carboxylic acid, 7-amino-8-fluoro-, 1,1-dimethylethyl ester, (5R,8S)- [ACD/Index Name]
2-Methyl-2-propanyl (5R,8S)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(5R,8S)-7-amino-8-fluor-2-azaspiro[4.4]nonan-2-carboxylat [German] [ACD/IUPAC Name]
1638757-74-0 [RN]
MFCD27987066
tert-butyl (5R,8S)-7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate
TRANS-8-AMINO-7-FLUORO-2-AZA-SPIRO[4.4]NONANE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
trans-tert-Butyl 7-amino-8-fluoro-2-azaspiro[4.4]nonane-2-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 344.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 161.9±27.9 °C
Index of Refraction: 1.509
Molar Refractivity: 67.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -1.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 56 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 226.4±5.0 cm3

Click to predict properties on the Chemicalize site


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