Found 3 results

Search term: GRMICLNWSXHBEE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline | C17H19N

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

  • Molecular FormulaC17H19N
  • Average mass237.339 Da
  • Monoisotopic mass237.151749 Da
  • ChemSpider ID32790789

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(1S)-1-(2-Méthylbenzyl)-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(1S)-1-(2-Methylbenzyl)-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 1,2,3,4-tetrahydro-1-[(2-methylphenyl)methyl]-, (1S)- [ACD/Index Name]
30356-04-8 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 376.5±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 191.4±14.7 °C
Index of Refraction: 1.582
Molar Refractivity: 75.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 6.66
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 19.06
ACD/KOC (pH 7.4): 79.84
Polar Surface Area: 12 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 226.9±3.0 cm3

Click to predict properties on the Chemicalize site


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