Found 5393 results

Search term: MF = 'C_{17}H_{17}NO_{2}'

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

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

  • Molecular FormulaC17H17NO2
  • Average mass267.322 Da
  • Monoisotopic mass267.125916 Da
  • ChemSpider ID13833514

More details:






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

2-Benzyl-1,2,3,4-tetrahydro-3-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-Benzyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid [ACD/IUPAC Name]
2-BENZYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-2-(phenylmethyl)- [ACD/Index Name]
54329-48-5 [RN]
Acide 2-benzyl-1,2,3,4-tétrahydro-3-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
MFCD04114480 [MDL number]
(S)-2-BENZYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
[54329-48-5]
2-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 438.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 219.0±28.7 °C
Index of Refraction: 1.627
Molar Refractivity: 77.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.07
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.54
Polar Surface Area: 41 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 217.9±3.0 cm3

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