bis(2-(pyridin-2-yl)pyridine) dichlororuthenium dihydrate

• ChemBase ID: 302914
• Molecular Formular: C20H20Cl2N4O2Ru
• Molecular Mass: 520.3744
• Monoisotopic Mass: 520.00068026
• SMILES: c1cc(ncc1)c1ncccc1.n1c(cccc1)c1ncccc1.O.O.[Ru](Cl)Cl
• Canonical SMILES: c1ccc(nc1)c1ccccn1.c1ccc(nc1)c1ccccn1.Cl[Ru]Cl.O.O
• InChI: InChI=1S/2C10H8N2.2ClH.2H2O.Ru/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;/h2*1-8H;2*1H;2*1H2;/q;;;;;;+2/p-2
• InChIKey: NHKTUSUPCAKVHT-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-(pyridin-2-yl)pyridine) dichlororuthenium dihydrate
• IUPAC Traditional name: bis(bipyridyl) dichlororuthenium dihydrate
• Synonyms: cis-Dichlorobis(2,2'-bipyridine)ruthenium(II) dihydrate; cis-Bis-(2,2'-bipyridine)dichlororuthenium(II) dihydrate; 顺-双(2,2'-二吡啶基)二氯化钌(II)二水合物

Database IDs

• CAS Number: 15746-57-3
• MDL Number: MFCD00012040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9542185
• LogD (pH = 7.4): 1.956794
• Log P: 1.9568269
• Molar Refractivity: 46.1364 cm^3
• Polarizability: 19.578226 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• TSCA Listed: 否

Product Information

• Purity: Ru 19% min