ChemSpider 2D Image | 4-[(4S)-8-Amino-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]-1,2-benzenediol | C16H18N2O2

4-[(4S)-8-Amino-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]-1,2-benzenediol

  • Molecular FormulaC16H18N2O2
  • Average mass270.326 Da
  • Monoisotopic mass270.136841 Da
  • ChemSpider ID26398599

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Benzenediol, 4-[(4S)-8-amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl]- [ACD/Index Name]
4-[(4S)-8-Amino-2-methyl-1,2,3,4-tetrahydro-4-isochinolinyl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-[(4S)-8-Amino-2-méthyl-1,2,3,4-tétrahydro-4-isoquinoléinyl]-1,2-benzènediol [French] [ACD/IUPAC Name]
4-[(4S)-8-Amino-2-methyl-1,2,3,4-tetrahydro-4-isoquinolinyl]-1,2-benzenediol [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±3.0 kJ/mol
Flash Point: 238.8±28.7 °C
Index of Refraction: 1.675
Molar Refractivity: 79.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 36.31
Polar Surface Area: 70 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 210.6±3.0 cm3

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