ChemSpider 2D Image | 2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid | C18H17NO4

2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid

  • Molecular FormulaC18H17NO4
  • Average mass311.332 Da
  • Monoisotopic mass311.115753 Da
  • ChemSpider ID23346642

More details:

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

2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
2,7(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester [ACD/Index Name]
2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydro-7-isochinolincarbonsäure [German] [ACD/IUPAC Name]
2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydro-7-isoquinolinecarboxylic acid [ACD/IUPAC Name]
2-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxylic acid
877861-35-3 [RN]
Acide 2-[(benzyloxy)carbonyl]-1,2,3,4-tétrahydro-7-isoquinoléinecarboxylique [French] [ACD/IUPAC Name]
2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxylicacid
2,7(1H)-ISOQUINOLINEDICARBOXYLICACID, 3,4-DIHYDRO-, 2-(PHENYLMETHYL) ESTER
2-[(BENZYLOXY)CARBONYL]-3,4-DIHYDRO-1H-ISOQUINOLINE-7-CARBOXYLIC ACID
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 513.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.5±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 31.10
ACD/KOC (pH 5.5): 184.80
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.56
Polar Surface Area: 67 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 238.2±3.0 cm3

Click to predict properties on the Chemicalize site


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