Found 10 results

Search term: MF = 'C_{38}H_{41}N_{3}O'
ChemSpider 2D Image | (2S,3R,4S)-N,N-Dibenzyl-N'-(4-methoxyphenyl)-1,5-diphenyl-2,3,4-pentanetriamine | C38H41N3O

(2S,3R,4S)-N,N-Dibenzyl-N'-(4-methoxyphenyl)-1,5-diphenyl-2,3,4-pentanetriamine

  • Molecular FormulaC38H41N3O
  • Average mass555.752 Da
  • Monoisotopic mass555.324951 Da
  • ChemSpider ID9039897

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R,4S)-N,N-Dibenzyl-N'-(4-methoxyphenyl)-1,5-diphenyl-2,3,4-pentanetriamine [ACD/IUPAC Name]
(2S,3R,4S)-N,N-Dibenzyl-N'-(4-méthoxyphényl)-1,5-diphényl-2,3,4-pentanetriamine [French] [ACD/IUPAC Name]
(2S,3R,4S)-N,N-Dibenzyl-N'-(4-methoxyphenyl)-1,5-diphenyl-2,3,4-pentantriamin [German] [ACD/IUPAC Name]
2,3,4-Pentanetriamine, N3-(4-methoxyphenyl)-1,5-diphenyl-N2,N2-bis(phenylmethyl)-, (2S,3R,4S)- [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: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.640
Molar Refractivity: 175.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.97
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 158.42
ACD/KOC (pH 5.5): 122.10
ACD/LogD (pH 7.4): 6.78
ACD/BCF (pH 7.4): 43979.61
ACD/KOC (pH 7.4): 33898.13
Polar Surface Area: 51 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 50.4±3.0 dyne/cm
Molar Volume: 486.8±3.0 cm3

Click to predict properties on the Chemicalize site


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