Found 5 results

Search term: KCVCTQYFLDSAOL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-(4-Methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate | C18H16NO3

2-(4-Methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate

  • Molecular FormulaC18H16NO3
  • Average mass294.325 Da
  • Monoisotopic mass294.113556 Da
  • ChemSpider ID21205294

  • Charge - Charge

More details:

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

2-(4-Methylbenzoyl)-1,2,3,4-tetrahydro-3-isochinolincarboxylat [German] [ACD/IUPAC Name]
2-(4-Méthylbenzoyl)-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylate [French] [ACD/IUPAC Name]
2-(4-Methylbenzoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate [ACD/IUPAC Name]
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(4-methylbenzoyl)-, ion(1-) [ACD/Index Name]

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

Density:
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 2.11
ACD/KOC (pH 5.5): 19.59
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 60 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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