ChemSpider 2D Image | [2-(4-Methyl-1,4-diazepan-1-yl)-3-quinolinyl]methanol | C16H21N3O

[2-(4-Methyl-1,4-diazepan-1-yl)-3-quinolinyl]methanol

  • Molecular FormulaC16H21N3O
  • Average mass271.357 Da
  • Monoisotopic mass271.168457 Da
  • ChemSpider ID22764064

More details:

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

[2-(4-Methyl-1,4-diazepan-1-yl)-3-chinolinyl]methanol [German] [ACD/IUPAC Name]
[2-(4-Méthyl-1,4-diazépan-1-yl)-3-quinoléinyl]méthanol [French] [ACD/IUPAC Name]
[2-(4-Methyl-1,4-diazepan-1-yl)-3-quinolinyl]methanol [ACD/IUPAC Name]
3-Quinolinemethanol, 2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- [ACD/Index Name]
[2-(4-methyl-1,4-diazepan-1-yl)quinolin-3-yl]methanol
1038979-02-0 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517811/
MFCD11834020 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 462.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 233.8±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 81.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.52
Polar Surface Area: 40 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 231.6±3.0 cm3

Click to predict properties on the Chemicalize site


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