ChemSpider 2D Image | (2R)-1-(Diethylamino)-2-propanyl (1S,2S)-1-hydroxy-1,1'-bi(cyclohexyl)-2-carboxylate | C20H37NO3

(2R)-1-(Diethylamino)-2-propanyl (1S,2S)-1-hydroxy-1,1'-bi(cyclohexyl)-2-carboxylate

  • Molecular FormulaC20H37NO3
  • Average mass339.513 Da
  • Monoisotopic mass339.277344 Da
  • ChemSpider ID34994795

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S)-1-Hydroxy-1,1'-bi(cyclohexyl)-2-carboxylate de (2R)-1-(diéthylamino)-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-(Diethylamino)-2-propanyl (1S,2S)-1-hydroxy-1,1'-bi(cyclohexyl)-2-carboxylate [ACD/IUPAC Name]
(2R)-1-(Diethylamino)-2-propanyl-(1S,2S)-1-hydroxy-1,1'-bi(cyclohexyl)-2-carboxylat [German] [ACD/IUPAC Name]
[1,1'-Bicyclohexyl]-2-carboxylic acid, 1-hydroxy-, (1R)-2-(diethylamino)-1-methylethyl ester, (1S,2S)- [ACD/Index Name]
258-711-9 [EINECS]
53716-44-2 [RN]
rociverine [INN] [Wiki]
UNII-VI08KS44V0

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

Density: 1.0±0.1 g/cm3
Boiling Point: 445.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 81.1±6.0 kJ/mol
Flash Point: 223.0±25.9 °C
Index of Refraction: 1.508
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 25.68
Polar Surface Area: 50 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 326.3±3.0 cm3

Click to predict properties on the Chemicalize site


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