ChemSpider 2D Image | (3,3,4,4-~2~H_4_)-1,2,3,4-Tetrahydroisoquinoline | C9H7D4N

(3,3,4,4-2H4)-1,2,3,4-Tetrahydroisoquinoline

  • Molecular FormulaC9H7D4N
  • Average mass137.215 Da
  • Monoisotopic mass137.114258 Da
  • ChemSpider ID58798719

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,3,4,4-2H4)-1,2,3,4-Tetrahydroisochinolin [German] [ACD/IUPAC Name]
(3,3,4,4-2H4)-1,2,3,4-Tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
(3,3,4,4-2H4)-1,2,3,4-Tetrahydroisoquinoline [ACD/IUPAC Name]
Isoquinoline-3,4-d2, 1,2,3,4-tetrahydro-3,4-d2- [ACD/Index Name]
1,2,3,4-Tetrahydroisoquinoline [ACD/IUPAC Name]
91-21-4 [RN]

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

MFCD00006896 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 232.5±9.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.9±3.0 kJ/mol
    Flash Point: 98.9±0.0 °C
    Index of Refraction: 1.544
    Molar Refractivity: 41.8±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.40
    ACD/LogD (pH 5.5): -1.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.35
    Polar Surface Area: 12 Å2
    Polarizability: 16.6±0.5 10-24cm3
    Surface Tension: 37.0±3.0 dyne/cm
    Molar Volume: 132.3±3.0 cm3

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