ChemSpider 2D Image | 1-[2-(1-Azocanyl)-3-pyridinyl]-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamine | C22H28N6

1-[2-(1-Azocanyl)-3-pyridinyl]-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamine

  • Molecular FormulaC22H28N6
  • Average mass376.498 Da
  • Monoisotopic mass376.237549 Da
  • ChemSpider ID22197718

More details:

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

1-[2-(1-Azocanyl)-3-pyridinyl]-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamin [German] [ACD/IUPAC Name]
1-[2-(1-Azocanyl)-3-pyridinyl]-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl}methanamine [ACD/IUPAC Name]
1-[2-(1-Azocanyl)-3-pyridinyl]-N-{[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]méthyl}méthanamine [French] [ACD/IUPAC Name]
3-Pyridinemethanamine, 2-(hexahydro-1(2H)-azocinyl)-N-[[1-(2-pyrimidinyl)-1H-pyrrol-2-yl]methyl]- [ACD/Index Name]
{[2-(AZOCAN-1-YL)PYRIDIN-3-YL]METHYL}({[1-(PYRIMIDIN-2-YL)-1H-PYRROL-2-YL]METHYL})AMINE
{[2-(AZOCAN-1-YL)PYRIDIN-3-YL]METHYL}({[1-(PYRIMIDIN-2-YL)PYRROL-2-YL]METHYL})AMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 609.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 322.3±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 47.13
ACD/KOC (pH 7.4): 331.12
Polar Surface Area: 59 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 313.0±7.0 cm3

Click to predict properties on the Chemicalize site


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