ChemSpider 2D Image | 1-Methyl-7-[(~2~H_3_)methyloxy]-9H-beta-carboline | C13H9D3N2O

1-Methyl-7-[(2H3)methyloxy]-9H-β-carboline

  • Molecular FormulaC13H9D3N2O
  • Average mass215.266 Da
  • Monoisotopic mass215.113800 Da
  • ChemSpider ID48062395
  • Non-standard isotope - Non-standard isotope


More details:






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

1-Methyl-7-[(2H3)methyloxy]-9H-β-carbolin [German] [ACD/IUPAC Name]
1-Methyl-7-[(2H3)methyloxy]-9H-β-carboline [ACD/IUPAC Name]
1-Méthyl-7-[(2H3)méthyloxy]-9H-β-carboline [French] [ACD/IUPAC Name]
9H-Pyrido[3,4-b]indole, 1-methyl-7-(methyl-d3-oxy)- [ACD/Index Name]
1216704-96-9 [RN]
1-methyl-7-(trideuteriomethoxy)-9H-pyrido[3,4-b]indole

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

Density: 1.3±0.1 g/cm3
Boiling Point: 421.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 139.8±17.0 °C
Index of Refraction: 1.706
Molar Refractivity: 66.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.46
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 4.78
ACD/KOC (pH 7.4): 45.40
Polar Surface Area: 38 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

Click to predict properties on the Chemicalize site






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