ChemSpider 2D Image | 2-Benzyl-1,2,3,4-tetrahydro-8-isoquinolinecarboxylic acid | C17H17NO2

2-Benzyl-1,2,3,4-tetrahydro-8-isoquinolinecarboxylic acid

  • Molecular FormulaC17H17NO2
  • Average mass267.322 Da
  • Monoisotopic mass267.125916 Da
  • ChemSpider ID21402906

More details:






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

2-Benzyl-1,2,3,4-tetrahydro-8-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-Benzyl-1,2,3,4-tetrahydro-8-isoquinolinecarboxylic acid [ACD/IUPAC Name]
2-benzyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
8-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(phenylmethyl)- [ACD/Index Name]
Acide 2-benzyl-1,2,3,4-tétrahydro-8-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
[1053656-29-3]
105365-62-6 [RN]
1053656-29-3 [RN]
'1053656-29-3
150767-02-5 [RN]
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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: 433.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 215.9±28.7 °C
Index of Refraction: 1.635
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 1.16
ACD/KOC (pH 5.5): 7.70
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.60
Polar Surface Area: 41 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 218.2±3.0 cm3

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