ChemSpider 2D Image | 3-(2-Propyn-1-ylamino)-5-indanol | C12H13NO

3-(2-Propyn-1-ylamino)-5-indanol

  • Molecular FormulaC12H13NO
  • Average mass187.238 Da
  • Monoisotopic mass187.099716 Da
  • ChemSpider ID23144530

More details:






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

1H-Inden-5-ol, 2,3-dihydro-3-(2-propyn-1-ylamino)- [ACD/Index Name]
3-(2-Propin-1-ylamino)-5-indanol [German] [ACD/IUPAC Name]
3-(2-Propyn-1-ylamino)-5-indanol [ACD/IUPAC Name]
3-(2-Propyn-1-ylamino)-5-indanol [French] [ACD/IUPAC Name]
3-((R)-Prop-2-ynylamino)-indan-5-ol
3-Prop-2-ynylamino-indan-5-ol
479205-53-3 [RN]
479206-03-6 [RN]
479206-04-7 [RN]
MFCD20668114

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

Density: 1.2±0.1 g/cm3
Boiling Point: 365.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 168.6±18.5 °C
Index of Refraction: 1.610
Molar Refractivity: 55.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.68
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 11.19
ACD/KOC (pH 7.4): 174.68
Polar Surface Area: 32 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 54.1±5.0 dyne/cm
Molar Volume: 159.8±5.0 cm3

Click to predict properties on the Chemicalize site






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