ChemSpider 2D Image | 5-Chloro-1,2,3,4-tetrahydro-1,6-naphthyridine | C8H9ClN2

5-Chloro-1,2,3,4-tetrahydro-1,6-naphthyridine

  • Molecular FormulaC8H9ClN2
  • Average mass168.624 Da
  • Monoisotopic mass168.045425 Da
  • ChemSpider ID22525014

More details:

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

1,6-Naphthyridine, 5-chloro-1,2,3,4-tetrahydro- [ACD/Index Name]
5-Chlor-1,2,3,4-tetrahydro-1,6-naphthyridin [German] [ACD/IUPAC Name]
5-Chloro-1,2,3,4-tetrahydro-1,6-naphthyridine [ACD/IUPAC Name]
5-Chloro-1,2,3,4-tétrahydro-1,6-naphtyridine [French] [ACD/IUPAC Name]
98490-61-0 [RN]
[98490-61-0] [RN]
MFCD11518945 [MDL number]
tert-butyl octahydropyrrolo[3,4-b]pyridine-1-carboxylate;tert-Butyl octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxylate

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

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 316.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.8±3.0 kJ/mol
    Flash Point: 145.0±27.9 °C
    Index of Refraction: 1.565
    Molar Refractivity: 44.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 2.98
    ACD/LogD (pH 5.5): 2.36
    ACD/BCF (pH 5.5): 35.56
    ACD/KOC (pH 5.5): 434.71
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.62
    ACD/KOC (pH 7.4): 484.45
    Polar Surface Area: 25 Å2
    Polarizability: 17.7±0.5 10-24cm3
    Surface Tension: 45.1±3.0 dyne/cm
    Molar Volume: 137.5±3.0 cm3

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