ChemSpider 2D Image | 2-({[2-({(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)ethyl]amino}methyl)phenol | C20H28N4O2

2-({[2-({(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)ethyl]amino}methyl)phenol

  • Molecular FormulaC20H28N4O2
  • Average mass356.462 Da
  • Monoisotopic mass356.221222 Da
  • ChemSpider ID28493808

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-({[2-({(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)ethyl]amino}methyl)phenol [German] [ACD/IUPAC Name]
2-({[2-({(3S,4S)-4-[(6-Amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl}oxy)ethyl]amino}methyl)phenol [ACD/IUPAC Name]
2-({[2-({(3S,4S)-4-[(6-Amino-4-méthyl-2-pyridinyl)méthyl]-3-pyrrolidinyl}oxy)éthyl]amino}méthyl)phénol [French] [ACD/IUPAC Name]
2-({[2-({(3s,4s)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}oxy)ethyl]amino}methyl)phenol
Phenol, 2-[[[2-[[(3S,4S)-4-[(6-amino-4-methyl-2-pyridinyl)methyl]-3-pyrrolidinyl]oxy]ethyl]amino]methyl]- [ACD/Index Name]
CXW

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 290.3±30.1 °C
Index of Refraction: 1.619
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.38
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 293.5±5.0 cm3

Click to predict properties on the Chemicalize site


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