ChemSpider 2D Image | (3S)-6-Cyano-1-[(trimethylsilyl)ethynyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid | C16H18N2O2Si

(3S)-6-Cyano-1-[(trimethylsilyl)ethynyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid

  • Molecular FormulaC16H18N2O2Si
  • Average mass298.412 Da
  • Monoisotopic mass298.113739 Da
  • ChemSpider ID95118563

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-6-Cyan-1-[(trimethylsilyl)ethinyl]-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
(3S)-6-Cyano-1-[(trimethylsilyl)ethynyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 6-cyano-1,2,3,4-tetrahydro-1-[2-(trimethylsilyl)ethynyl]-, (3S)- [ACD/Index Name]
Acide (3S)-6-cyano-1-[(triméthylsilyl)éthynyl]-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 451.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 226.6±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 83.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.06
ACD/KOC (pH 5.5): 7.47
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 73 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 250.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement