ChemSpider 2D Image | {(1R,3S)-1-Amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl]cyclopentyl}methanol | C22H35NO

{(1R,3S)-1-Amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl]cyclopentyl}methanol

  • Molecular FormulaC22H35NO
  • Average mass329.519 Da
  • Monoisotopic mass329.271851 Da
  • ChemSpider ID58826382

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(1R,3S)-1-Amino-3-[(6R)-6-hexyl-5,6,7,8-tétrahydro-2-naphtalényl]cyclopentyl}méthanol [French] [ACD/IUPAC Name]
{(1R,3S)-1-Amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl]cyclopentyl}methanol [ACD/IUPAC Name]
{(1R,3S)-1-Amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydro-2-naphthalinyl]cyclopentyl}methanol [German] [ACD/IUPAC Name]
1622180-31-7 [RN]
Cyclopentanemethanol, 1-amino-3-[(6R)-6-hexyl-5,6,7,8-tetrahydro-2-naphthalenyl]-, (1R,3S)- [ACD/Index Name]
((1R,3S)-1-AMINO-3-((R)-6-HEXYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPENTYL)METHANOL
BMS-986104
MFCD30829539

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

KJ9D084FO4 [DBID]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 476.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±3.0 kJ/mol
    Flash Point: 242.2±28.7 °C
    Index of Refraction: 1.533
    Molar Refractivity: 101.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 6.06
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 13.03
    ACD/KOC (pH 5.5): 28.94
    ACD/LogD (pH 7.4): 3.20
    ACD/BCF (pH 7.4): 36.80
    ACD/KOC (pH 7.4): 81.76
    Polar Surface Area: 46 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 42.7±3.0 dyne/cm
    Molar Volume: 327.9±3.0 cm3

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