ChemSpider 2D Image | (2S)-N,N,N'-Tribenzyl-1,4-diphenyl-2,3-butanediamine | C37H38N2

(2S)-N,N,N'-Tribenzyl-1,4-diphenyl-2,3-butanediamine

  • Molecular FormulaC37H38N2
  • Average mass510.711 Da
  • Monoisotopic mass510.303497 Da
  • ChemSpider ID9299198

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-N,N,N'-Tribenzyl-1,4-diphenyl-2,3-butandiamin [German] [ACD/IUPAC Name]
(2S)-N,N,N'-Tribenzyl-1,4-diphenyl-2,3-butanediamine [ACD/IUPAC Name]
(2S)-N,N,N'-Tribenzyl-1,4-diphényl-2,3-butanediamine [French] [ACD/IUPAC Name]
2,3-Butanediamine, 1,4-diphenyl-N2,N2,N3-tris(phenylmethyl)-, (2S)- [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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 167.6±22.5 °C
Index of Refraction: 1.625
Molar Refractivity: 164.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 9.10
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 1547.82
ACD/KOC (pH 5.5): 1023.48
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 145224.78
ACD/KOC (pH 7.4): 96028.66
Polar Surface Area: 15 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 464.4±3.0 cm3

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