ChemSpider 2D Image | Emixustat | C16H25NO2

Emixustat

  • Molecular FormulaC16H25NO2
  • Average mass263.375 Da
  • Monoisotopic mass263.188538 Da
  • ChemSpider ID28528371
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1R)-3-Amino-1-[3-(cyclohexylmethoxy)phenyl]-1-propanol [German] [ACD/IUPAC Name]
(1R)-3-Amino-1-[3-(cyclohexylmethoxy)phenyl]-1-propanol [ACD/IUPAC Name]
(1R)-3-Amino-1-[3-(cyclohexylméthoxy)phényl]-1-propanol [French] [ACD/IUPAC Name]
1141777-14-1 [RN]
9576
ACU-4429
Benzenemethanol, α-(2-aminoethyl)-3-(cyclohexylmethoxy)-, (αR)- [ACD/Index Name]
emixustat [Spanish] [INN]
émixustat [French] [INN]
More...

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

02DZ1HBF0M [DBID]
UNII:02DZ1HBF0M [DBID]
UNII-02DZ1HBF0M [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 430.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.4±27.3 °C
Index of Refraction: 1.543
Molar Refractivity: 77.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.08
Polar Surface Area: 55 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 247.2±3.0 cm3

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