ChemSpider 2D Image | (S,E)-falintolol | C12H24N2O2

(S,E)-falintolol

  • Molecular FormulaC12H24N2O2
  • Average mass228.331 Da
  • Monoisotopic mass228.183777 Da
  • ChemSpider ID24683570

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{[(E)-(1-Cyclopropylethyliden)amino]oxy}-3-[(2-methyl-2-propanyl)amino]-2-propanol [German] [ACD/IUPAC Name]
(2S)-1-{[(E)-(1-Cyclopropylethylidene)amino]oxy}-3-[(2-methyl-2-propanyl)amino]-2-propanol [ACD/IUPAC Name]
(2S)-1-{[(E)-(1-Cyclopropyléthylidène)amino]oxy}-3-[(2-méthyl-2-propanyl)amino]-2-propanol [French] [ACD/IUPAC Name]
(S,E)-falintolol
96479-91-3 [RN]
Ethanone, 1-cyclopropyl-, O-[(2S)-3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]oxime, (1E)- [ACD/Index Name]
(2R)-1-(tert-butylamino)-3-(1-cyclopropylethylideneamino)oxypropan-2-ol
(2R)-1-(tert-butylamino)-3-(1-cyclopropylethylideneamino)oxy-propan-2-ol
(R-(E))-1-Cyclopropylethanone O-(3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)oxime
90581-63-8 [RN]
More...

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

DFE9AZN98S [DBID]
UNII:DFE9AZN98S [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 343.6±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.0±6.0 kJ/mol
Flash Point: 161.6±30.7 °C
Index of Refraction: 1.509
Molar Refractivity: 63.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 54 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 33.8±7.0 dyne/cm
Molar Volume: 212.4±7.0 cm3

Click to predict properties on the Chemicalize site


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