ChemSpider 2D Image | 6-[(2S)-2-Amino-2-{3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl}ethyl]-4-methyl-2-pyridinamine | C22H27N5

6-[(2S)-2-Amino-2-{3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl}ethyl]-4-methyl-2-pyridinamine

  • Molecular FormulaC22H27N5
  • Average mass361.483 Da
  • Monoisotopic mass361.226654 Da
  • ChemSpider ID34250106
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-Pyridineethanamine, 6-amino-α-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]-4-methyl-, (αS)- [ACD/Index Name]
6-[(2S)-2-Amino-2-{3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl}ethyl]-4-methyl-2-pyridinamin [German] [ACD/IUPAC Name]
6-[(2S)-2-Amino-2-{3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl}ethyl]-4-methyl-2-pyridinamine [ACD/IUPAC Name]
6-[(2S)-2-Amino-2-{3-[2-(6-amino-4-méthyl-2-pyridinyl)éthyl]phényl}éthyl]-4-méthyl-2-pyridinamine [French] [ACD/IUPAC Name]
6-[(2s)-2-Amino-2-{3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]phenyl}ethyl]-4-Methylpyridin-2-Amine
2IK

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

Density: 1.2±0.1 g/cm3
Boiling Point: 553.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 322.4±15.9 °C
Index of Refraction: 1.658
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 8.70
ACD/KOC (pH 7.4): 81.06
Polar Surface Area: 104 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 304.5±3.0 cm3

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