ChemSpider 2D Image | 3-[(2-{[(6-{[Bis(3-methylbenzyl)amino]methyl}-2-pyridinyl)methyl](3-methylbenzyl)amino}ethyl)amino]-1-propanol | C36H46N4O

3-[(2-{[(6-{[Bis(3-methylbenzyl)amino]methyl}-2-pyridinyl)methyl](3-methylbenzyl)amino}ethyl)amino]-1-propanol

  • Molecular FormulaC36H46N4O
  • Average mass550.777 Da
  • Monoisotopic mass550.367188 Da
  • ChemSpider ID407870

More details:

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

1-Propanol, 3-[[2-[[[6-[[bis[(3-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methyl][(3-methylphenyl)methyl]amino]ethyl]amino]- [ACD/Index Name]
3-[(2-{[(6-{[Bis(3-methylbenzyl)amino]methyl}-2-pyridinyl)methyl](3-methylbenzyl)amino}ethyl)amino]-1-propanol [German] [ACD/IUPAC Name]
3-[(2-{[(6-{[Bis(3-methylbenzyl)amino]methyl}-2-pyridinyl)methyl](3-methylbenzyl)amino}ethyl)amino]-1-propanol [ACD/IUPAC Name]
3-[(2-{[(6-{[Bis(3-méthylbenzyl)amino]méthyl}-2-pyridinyl)méthyl](3-méthylbenzyl)amino}éthyl)amino]-1-propanol [French] [ACD/IUPAC Name]
3-[(2-{[(6-{[bis(3-methylbenzyl)amino]methyl}pyridin-2-yl)methyl](3-methylbenzyl)amino}ethyl)amino]propan-1-ol
3-{2-[(6-{[Bis-(3-methyl-benzyl)-amino]-methyl}-pyridin-2-ylmethyl)-(3-methyl-benzyl)-amino]-ethylamino}-propan-1-ol
Pyridinopolyamine

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

AIDS037563 [DBID]
AIDS-037563 [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: 658.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 171.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.21
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 3.19
ACD/KOC (pH 5.5): 7.23
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 249.04
ACD/KOC (pH 7.4): 565.14
Polar Surface Area: 52 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 499.1±3.0 cm3

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