ChemSpider 2D Image | 5-Chloro-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline | C11H14ClN

5-Chloro-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC11H14ClN
  • Average mass195.689 Da
  • Monoisotopic mass195.081482 Da
  • ChemSpider ID25721042

More details:

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

1267273-47-1 [RN]
5-Chlor-4,4-dimethyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
5-Chloro-4,4-diméthyl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
5-Chloro-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline, 5-chloro-1,2,3,4-tetrahydro-4,4-dimethyl- [ACD/Index Name]
MFCD19348569 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 277.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.6±3.0 kJ/mol
Flash Point: 121.6±27.3 °C
Index of Refraction: 1.525
Molar Refractivity: 56.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.47
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 32.30
Polar Surface Area: 12 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 35.3±3.0 dyne/cm
Molar Volume: 182.7±3.0 cm3

Click to predict properties on the Chemicalize site


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