ChemSpider 2D Image | (9S)-3,6-Dimethoxy-11-oxatricyclo[6.2.1.0~2,7~]undeca-2,4,6-trien-9-amine | C12H15NO3

(9S)-3,6-Dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine

  • Molecular FormulaC12H15NO3
  • Average mass221.252 Da
  • Monoisotopic mass221.105194 Da
  • ChemSpider ID28522098

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(9S)-3,6-Dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amin [German] [ACD/IUPAC Name]
(9S)-3,6-Dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-9-amine [ACD/IUPAC Name]
(9S)-3,6-Diméthoxy-11-oxatricyclo[6.2.1.02,7]undéca-2,4,6-trién-9-amine [French] [ACD/IUPAC Name]
1,4-Epoxynaphthalen-2-amine, 1,2,3,4-tetrahydro-5,8-dimethoxy-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 338.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 170.8±21.6 °C
Index of Refraction: 1.570
Molar Refractivity: 59.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 54 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 181.6±3.0 cm3

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