Found 1 result

Search term: SNXCEMGJGPMMQV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S)-N,N-Dibenzyl-1-(2-oxido-1,3,2-dioxathian-4-yl)-2-phenylethanamine | C25H27NO3S

(1S)-N,N-Dibenzyl-1-(2-oxido-1,3,2-dioxathian-4-yl)-2-phenylethanamine

  • Molecular FormulaC25H27NO3S
  • Average mass421.552 Da
  • Monoisotopic mass421.171173 Da
  • ChemSpider ID30650613

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1S)-N,N-Dibenzyl-1-(2-oxido-1,3,2-dioxathian-4-yl)-2-phenylethanamin [German] [ACD/IUPAC Name]
(1S)-N,N-Dibenzyl-1-(2-oxido-1,3,2-dioxathian-4-yl)-2-phenylethanamine [ACD/IUPAC Name]
(1S)-N,N-Dibenzyl-1-(2-oxydo-1,3,2-dioxathian-4-yl)-2-phényléthanamine [French] [ACD/IUPAC Name]
1,3,2-Dioxathiane-4-methanamine, N,N,α-tris(phenylmethyl)-, 2-oxide, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 551.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 287.1±26.8 °C
Index of Refraction: 1.654
Molar Refractivity: 122.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.15
ACD/BCF (pH 5.5): 522.37
ACD/KOC (pH 5.5): 1742.01
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3550.57
ACD/KOC (pH 7.4): 11840.49
Polar Surface Area: 58 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


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