ChemSpider 2D Image | 6,6'-{[(2S,3S)-2-Amino-1,3-butanediyl]bis(oxymethylene)}bis(4-methyl-2-pyridinamine) | C18H27N5O2

6,6'-{[(2S,3S)-2-Amino-1,3-butanediyl]bis(oxymethylene)}bis(4-methyl-2-pyridinamine)

  • Molecular FormulaC18H27N5O2
  • Average mass345.439 Da
  • Monoisotopic mass345.216461 Da
  • ChemSpider ID30833364
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-Pyridinamine, 6-[[(2S,3S)-2-amino-3-[(6-amino-4-methyl-2-pyridinyl)methoxy]butoxy]methyl]-4-methyl- [ACD/Index Name]
6,6'-{[(2S,3S)-2-Amino-1,3-butandiyl]bis(oxymethylen)}bis(4-methyl-2-pyridinamin) [German] [ACD/IUPAC Name]
6,6'-{[(2S,3S)-2-Amino-1,3-butanediyl]bis(oxymethylene)}bis(4-methyl-2-pyridinamine) [ACD/IUPAC Name]
6,6'-{[(2S,3S)-2-Amino-1,3-butanediyl]bis(oxyméthylène)}bis(4-méthyl-2-pyridinamine) [French] [ACD/IUPAC Name]
6,6'-{[(2s,3s)-2-Aminobutane-1,3-Diyl]bis(Oxymethanediyl)}bis(4-Methylpyridin-2-Amine)
10.1016/j.bmcl.2013.08.034

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 568.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.8±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 100.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.92
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 101.30
Polar Surface Area: 122 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 289.7±3.0 cm3

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