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Search term: XVBBSQGJSIEXFQ-INSVYWFGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (1R)-1-(Aminomethyl)-3-benzyl-3,4-dihydro-1H-isochromene-5,6-diol | C17H19NO3

(1R)-1-(Aminomethyl)-3-benzyl-3,4-dihydro-1H-isochromene-5,6-diol

  • Molecular FormulaC17H19NO3
  • Average mass285.338 Da
  • Monoisotopic mass285.136505 Da
  • ChemSpider ID23175237

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1R)-1-(Aminomethyl)-3-benzyl-3,4-dihydro-1H-isochromen-5,6-diol [German] [ACD/IUPAC Name]
(1R)-1-(Aminomethyl)-3-benzyl-3,4-dihydro-1H-isochromene-5,6-diol [ACD/IUPAC Name]
(1R)-1-(Aminométhyl)-3-benzyl-3,4-dihydro-1H-isochromène-5,6-diol [French] [ACD/IUPAC Name]
1H-2-Benzopyran-5,6-diol, 1-(aminomethyl)-3,4-dihydro-3-(phenylmethyl)-, (1R)- [ACD/Index Name]
1-Aminomethyl-3-benzyl-isochroman-5,6-diol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 251.6±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.99
Polar Surface Area: 76 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 227.2±3.0 cm3

Click to predict properties on the Chemicalize site


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