ChemSpider 2D Image | 1-(2,3,4-Trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine | C12H17NO3

1-(2,3,4-Trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine

  • Molecular FormulaC12H17NO3
  • Average mass223.268 Da
  • Monoisotopic mass223.120850 Da
  • ChemSpider ID29339459

More details:

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

1-(2,3,4-Trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamin [German] [ACD/IUPAC Name]
1-(2,3,4-Trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methanamine [ACD/IUPAC Name]
1-(2,3,4-Triméthoxybicyclo[4.2.0]octa-1,3,5-trién-7-yl)méthanamine [French] [ACD/IUPAC Name]
Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine, 2,3,4-trimethoxy- [ACD/Index Name]
(3,4,5-trimethoxy-1,2-dihydrocyclobutabenzen-1-yl)methanamine
1132076-86-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 342.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.6±3.0 kJ/mol
Flash Point: 169.7±21.6 °C
Index of Refraction: 1.541
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.00
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

Click to predict properties on the Chemicalize site


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