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Search term: VYPNBBZHLGJXPR-ZYHUDNBSSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5R,6R)-6-(Isopropylamino)-5,6,7,8-tetrahydro-1,2,5-naphthalenetriol | C13H19NO3

(5R,6R)-6-(Isopropylamino)-5,6,7,8-tetrahydro-1,2,5-naphthalenetriol

  • Molecular FormulaC13H19NO3
  • Average mass237.295 Da
  • Monoisotopic mass237.136490 Da
  • ChemSpider ID23107905

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5R,6R)-6-(Isopropylamino)-5,6,7,8-tétrahydro-1,2,5-naphtalènetriol [French] [ACD/IUPAC Name]
(5R,6R)-6-(Isopropylamino)-5,6,7,8-tetrahydro-1,2,5-naphthalenetriol [ACD/IUPAC Name]
(5R,6R)-6-(Isopropylamino)-5,6,7,8-tetrahydro-1,2,5-naphthalintriol [German] [ACD/IUPAC Name]
1,2,5-Naphthalenetriol, 5,6,7,8-tetrahydro-6-[(1-methylethyl)amino]-, (5R,6R)- [ACD/Index Name]
(5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol
6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,2,5-triol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 432.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 170.7±19.3 °C
Index of Refraction: 1.615
Molar Refractivity: 65.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.36
ACD/LogD (pH 5.5): -2.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 187.0±5.0 cm3

Click to predict properties on the Chemicalize site


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