ChemSpider 2D Image | 2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate | C16H19NO4

2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate

  • Molecular FormulaC16H19NO4
  • Average mass289.326 Da
  • Monoisotopic mass289.131409 Da
  • ChemSpider ID24534363

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

2,4(1H)-Isoquinoléinedicarboxylate de 4-méthyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2,4(1H)-Isoquinolinedicarboxylic acid, 2-(1,1-dimethylethyl) 4-methyl ester [ACD/Index Name]
2-tert-Butyl 4-methyl isoquinoline-2,4(1H)-dicarboxylate
4-Methyl 2-(2-methyl-2-propanyl) 2,4(1H)-isoquinolinedicarboxylate [ACD/IUPAC Name]
4-Methyl-2-(2-methyl-2-propanyl)-2,4(1H)-isochinolindicarboxylat [German] [ACD/IUPAC Name]
1187830-86-9 [RN]
'1187830-86-9
118783-08-7 [RN]
182415-24-3 [RN]
1H-Isoquinoline-2,4-dicarboxylic acid 2-tert-butyl ester 4-methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 416.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 205.5±28.7 °C
Index of Refraction: 1.548
Molar Refractivity: 77.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 181.19
ACD/KOC (pH 5.5): 1438.71
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 181.19
ACD/KOC (pH 7.4): 1438.71
Polar Surface Area: 56 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 243.4±3.0 cm3

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