ChemSpider 2D Image | 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-8-amine | C9H13N3

2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-8-amine

  • Molecular FormulaC9H13N3
  • Average mass163.220 Da
  • Monoisotopic mass163.110947 Da
  • ChemSpider ID21374195

More details:

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

1H-1,4-Benzodiazepin-8-amine, 2,3,4,5-tetrahydro- [ACD/Index Name]
2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-8-amin [German] [ACD/IUPAC Name]
2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-8-amine [ACD/IUPAC Name]
2,3,4,5-Tétrahydro-1H-1,4-benzodiazépin-8-amine [French] [ACD/IUPAC Name]
2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepin-8-ylamine
886366-73-0 [RN]
[886366-73-0] [RN]
2,3,4,5-tetrahydro-1h-benzo(e)(1,4)diazepin-8-ylamine
2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepin-8-amine
MFCD07369988 [MDL number]

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: 1.1±0.1 g/cm3
    Boiling Point: 358.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.4±3.0 kJ/mol
    Flash Point: 200.9±31.5 °C
    Index of Refraction: 1.580
    Molar Refractivity: 49.4±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 4
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: -1.65
    ACD/LogD (pH 5.5): -3.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 50 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 148.3±3.0 cm3

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