ChemSpider 2D Image | (1S)-N-{[(2S,3R)-1-(Diphenylmethyl)-3-ethynyl-2-aziridinyl]methyl}-1-phenylethanamine | C26H26N2

(1S)-N-{[(2S,3R)-1-(Diphenylmethyl)-3-ethynyl-2-aziridinyl]methyl}-1-phenylethanamine

  • Molecular FormulaC26H26N2
  • Average mass366.498 Da
  • Monoisotopic mass366.209595 Da
  • ChemSpider ID30651712

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S)-N-{[(2S,3R)-1-(Diphenylmethyl)-3-ethinyl-2-aziridinyl]methyl}-1-phenylethanamin [German] [ACD/IUPAC Name]
(1S)-N-{[(2S,3R)-1-(Diphenylmethyl)-3-ethynyl-2-aziridinyl]methyl}-1-phenylethanamine [ACD/IUPAC Name]
(1S)-N-{[(2S,3R)-1-(Diphénylméthyl)-3-éthynyl-2-aziridinyl]méthyl}-1-phényléthanamine [French] [ACD/IUPAC Name]
2-Aziridinemethanamine, 1-(diphenylmethyl)-3-ethynyl-N-[(1S)-1-phenylethyl]-, (2S,3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 465.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 140.0±19.7 °C
Index of Refraction: 1.641
Molar Refractivity: 116.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 1.88
ACD/BCF (pH 5.5): 3.02
ACD/KOC (pH 5.5): 10.72
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 47.20
ACD/KOC (pH 7.4): 167.44
Polar Surface Area: 15 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 322.7±5.0 cm3

Click to predict properties on the Chemicalize site


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