ChemSpider 2D Image | 2CBCB-NBOMe | C19H22BrNO3

2CBCB-NBOMe

  • Molecular FormulaC19H22BrNO3
  • Average mass392.287 Da
  • Monoisotopic mass391.078308 Da
  • ChemSpider ID26234935
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[(7R)-3-Brom-2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N-(2-methoxybenzyl)methanamin [German] [ACD/IUPAC Name]
1-[(7R)-3-Bromo-2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N-(2-methoxybenzyl)methanamine [ACD/IUPAC Name]
1-[(7R)-3-Bromo-2,5-diméthoxybicyclo[4.2.0]octa-1,3,5-trién-7-yl]-N-(2-méthoxybenzyl)méthanamine [French] [ACD/IUPAC Name]
2CBCB-NBOMe [Wiki]
Bicyclo[4.2.0]octa-1,3,5-triene-7-methanamine, 3-bromo-2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-, (7R)- [ACD/Index Name]
N-(2-methoxybenzyl)-1-[(7R)-3-bromo-2,5-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methanamine
NBOMe-TCB-2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 479.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.0±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 98.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 7.05
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 51.13
ACD/KOC (pH 7.4): 253.92
Polar Surface Area: 40 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 296.1±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form