Found 1 result

Search term: HWGLMIBKWILESK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 5-Methyl-7-(2-pyridinyl)-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1,2,4-benzotriazin-3-amine | C25H26N6O

5-Methyl-7-(2-pyridinyl)-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1,2,4-benzotriazin-3-amine

  • Molecular FormulaC25H26N6O
  • Average mass426.513 Da
  • Monoisotopic mass426.216797 Da
  • ChemSpider ID23285488

More details:

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

1,2,4-Benzotriazin-3-amine, 5-methyl-7-(2-pyridinyl)-N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]- [ACD/Index Name]
5-Methyl-7-(2-pyridinyl)-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1,2,4-benzotriazin-3-amin [German] [ACD/IUPAC Name]
5-Methyl-7-(2-pyridinyl)-N-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1,2,4-benzotriazin-3-amine [ACD/IUPAC Name]
5-Méthyl-7-(2-pyridinyl)-N-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-1,2,4-benzotriazin-3-amine [French] [ACD/IUPAC Name]
5-methyl-7-(pyridin-2-yl)-N-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,4-benzotriazin-3-amine
5-methyl-7-(pyridin-2-yl)-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine
CHEMBL230899

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 339.2±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 126.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.45
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 7.87
ACD/KOC (pH 7.4): 37.90
Polar Surface Area: 76 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 340.4±3.0 cm3

Click to predict properties on the Chemicalize site


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