ChemSpider 2D Image | 7-Methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydro-6-isoquinolinyl sulfamate | C18H22N2O5S

7-Methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydro-6-isoquinolinyl sulfamate

  • Molecular FormulaC18H22N2O5S
  • Average mass378.443 Da
  • Monoisotopic mass378.124939 Da
  • ChemSpider ID25059198

More details:

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

7-Methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydro-6-isochinolinylsulfamat [German] [ACD/IUPAC Name]
7-Methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydro-6-isoquinolinyl sulfamate [ACD/IUPAC Name]
7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate
Sulfamate de 7-méthoxy-2-(3-méthoxybenzyl)-1,2,3,4-tétrahydro-6-isoquinoléinyle [French] [ACD/IUPAC Name]
Sulfamic acid, 1,2,3,4-tetrahydro-7-methoxy-2-[(3-methoxyphenyl)methyl]-6-isoquinolinyl ester [ACD/Index Name]
[7-methoxy-2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl] sulfamate
MS5
T34858
THIQ-20c

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

Density: 1.3±0.1 g/cm3
Boiling Point: 553.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.4±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 98.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 0.84
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 16.09
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 20.32
ACD/KOC (pH 7.4): 273.78
Polar Surface Area: 99 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 285.8±3.0 cm3

Click to predict properties on the Chemicalize site


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