ChemSpider 2D Image | (1R,2R)-5-(Hydroxymethyl)-2-(isopropylamino)-1,2,3,4-tetrahydro-1,6-naphthalenediol | C14H21NO3

(1R,2R)-5-(Hydroxymethyl)-2-(isopropylamino)-1,2,3,4-tetrahydro-1,6-naphthalenediol

  • Molecular FormulaC14H21NO3
  • Average mass251.321 Da
  • Monoisotopic mass251.152145 Da
  • ChemSpider ID88297097

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,2R)-5-(Hydroxyméthyl)-2-(isopropylamino)-1,2,3,4-tétrahydro-1,6-naphtalènediol [French] [ACD/IUPAC Name]
(1R,2R)-5-(Hydroxymethyl)-2-(isopropylamino)-1,2,3,4-tetrahydro-1,6-naphthalenediol [ACD/IUPAC Name]
(1R,2R)-5-(Hydroxymethyl)-2-(isopropylamino)-1,2,3,4-tetrahydro-1,6-naphthalindiol [German] [ACD/IUPAC Name]
1,6-Naphthalenediol, 1,2,3,4-tetrahydro-5-(hydroxymethyl)-2-[(1-methylethyl)amino]-, (1R,2R)- [ACD/Index Name]
59605-49-1 (free base)
AA 497 (Free Base)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 465.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 177.4±19.3 °C
Index of Refraction: 1.604
Molar Refractivity: 69.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.22
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 203.3±5.0 cm3

Click to predict properties on the Chemicalize site


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