ChemSpider 2D Image | (S)-nolomirole | C19H27NO4

(S)-nolomirole

  • Molecular FormulaC19H27NO4
  • Average mass333.422 Da
  • Monoisotopic mass333.194000 Da
  • ChemSpider ID19678626

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6S)-6-(Methylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diyl bis(2-methylpropanoate) [ACD/IUPAC Name]
(6S)-6-(Methylamino)-5,6,7,8-tetrahydronaphthalin-1,2-diyl-bis(2-methylpropanoat) [German] [ACD/IUPAC Name]
(S)-nolomirole
Bis(2-méthylpropanoate) de (6S)-6-(méthylamino)-5,6,7,8-tétrahydronaphtalène-1,2-diyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (6S)-5,6,7,8-tetrahydro-6-(methylamino)-1,2-naphthalenediyl ester [ACD/Index Name]
[(2S)-2-methylamino-6-(2-methylpropanoyloxy)tetralin-5-yl] 2-methylpropanoate
[(6S)-6-methylamino-2-(2-methylpropanoyloxy)-5,6,7,8-tetrahydronaphthalen-1-yl] 2-methylpropanoate
2-methylpropanoic acid [(2S)-2-methylamino-6-(2-methyl-1-oxopropoxy)-5-tetralinyl] ester
2-methylpropionic acid [(2S)-6-isobutyryloxy-2-methylamino-tetralin-5-yl] ester
90060-42-7 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.0 g/cm3
Boiling Point: 456.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 71.7±0.0 kJ/mol
Flash Point: 230.1±0.0 °C
Index of Refraction: 1.529
Molar Refractivity: 92.2±0.0 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.30
Polar Surface Area: 65 Å2
Polarizability: 36.5±0.0 10-24cm3
Surface Tension: 42.7±0.0 dyne/cm
Molar Volume: 298.5±0.0 cm3

Click to predict properties on the Chemicalize site


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