ChemSpider 2D Image | KH-176 | C19H28N2O3

KH-176

  • Molecular FormulaC19H28N2O3
  • Average mass332.437 Da
  • Monoisotopic mass332.209991 Da
  • ChemSpider ID58828127

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-6-Hydroxy-2,5,7,8-tetramethyl-N-[(3R)-3-piperidinyl]-2-chromancarboxamid [German] [ACD/IUPAC Name]
(2S)-6-Hydroxy-2,5,7,8-tetramethyl-N-[(3R)-3-piperidinyl]-2-chromanecarboxamide [ACD/IUPAC Name]
(2S)-6-Hydroxy-2,5,7,8-tétraméthyl-N-[(3R)-3-pipéridinyl]-2-chromanecarboxamide [French] [ACD/IUPAC Name]
1541170-75-5 [RN]
2H-1-Benzopyran-2-carboxamide, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-3-piperidinyl]-, (2S)- [ACD/Index Name]
JCU3O35RDS
KH-176
(2S)-3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-N-(3R)-3-piperidinyl-2H-1-benzopyran-2-carboxamide
(2S)-6-hydroxy-2,5,7,8-tetramethyl-N-[(3R)-piperidin-3-yl]-3,4-dihydrochromene-2-carboxamide
Sonlicromanol
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 570.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 299.0±30.1 °C
Index of Refraction: 1.583
Molar Refractivity: 93.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.05
Polar Surface Area: 71 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 279.9±5.0 cm3

Click to predict properties on the Chemicalize site


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