ChemSpider 2D Image | (4S)-1,2,3,4-Tetrahydro-4-methylisoquinoline | C10H13N

(4S)-1,2,3,4-Tetrahydro-4-methylisoquinoline

  • Molecular FormulaC10H13N
  • Average mass147.217 Da
  • Monoisotopic mass147.104797 Da
  • ChemSpider ID29338880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-1,2,3,4-Tetrahydro-4-methylisoquinoline
(4S)-4-Methyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
(4S)-4-Méthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(4S)-4-Methyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
850875-67-1 [RN]
Isoquinoline, 1,2,3,4-tetrahydro-4-methyl-, (4S)- [ACD/Index Name]
(S)-4-methyl-1,2,3,4-tetrahydroisoquinoline
350508-38-2 [RN]
MFCD16172198

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

Density: 1.0±0.1 g/cm3
Boiling Point: 239.3±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 100.0±14.2 °C
Index of Refraction: 1.522
Molar Refractivity: 46.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.90
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.85
Polar Surface Area: 12 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 33.2±3.0 dyne/cm
Molar Volume: 152.3±3.0 cm3

Click to predict properties on the Chemicalize site


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