ChemSpider 2D Image | (1S)-1-Ethyl-1,2,3,4-tetrahydroisoquinoline | C11H15N

(1S)-1-Ethyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC11H15N
  • Average mass161.243 Da
  • Monoisotopic mass161.120453 Da
  • ChemSpider ID32797981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-Ethyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1S)-1-Éthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1S)-1-Ethyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1-ethyl-1,2,3,4-tetrahydro-, (1S)- [ACD/Index Name]
(S)-1-Ethyl-1,2,3,4-tetrahydroisoquinoline
138215-44-8 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 257.4±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.5±3.0 kJ/mol
Flash Point: 111.1±14.2 °C
Index of Refraction: 1.514
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): -0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.60
Polar Surface Area: 12 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 169.9±3.0 cm3

Click to predict properties on the Chemicalize site


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