ChemSpider 2D Image | (1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid | C8H13NO2

(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

  • Molecular FormulaC8H13NO2
  • Average mass155.194 Da
  • Monoisotopic mass155.094635 Da
  • ChemSpider ID28536641
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexan-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, (1R,2S,5S)- [ACD/Index Name]
Acide (1R,2S,5S)-6,6-diméthyl-3-azabicyclo[3.1.0]hexane-2-carboxylique [French] [ACD/IUPAC Name]
(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2- carboxylic acid
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo-[3.1.0]hexane-2-carboxylic acid
(1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylicacid
(1S,2S,5R)-6,6-dimethyl-3-azabicyclo; [3.1.0]hexane-2-carboxylic acid
[911835-76-2]
911835-76-2 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 268.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 116.4±22.6 °C
Index of Refraction: 1.506
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 134.2±3.0 cm3

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