niobium(5+) ion potassium hexakis(propan-2-olate)

• ChemBase ID: 303300
• Molecular Formular: C18H42KNbO6
• Molecular Mass: 486.52716
• Monoisotopic Mass: 486.16822374
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[K+].[Nb+5]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[K+].[Nb+5]
• InChI: InChI=1S/6C3H7O.K.Nb/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
• InChIKey: HYWQXRUVXGGHRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion potassium hexakis(propan-2-olate)
• IUPAC Traditional name: niobium(5+) ion potassium hexakis(propan-2-olate)
• Synonyms: Niobium potassium isopropoxide; 异丙醇铌钾

Database IDs

• CAS Number: 21864-23-3
• MDL Number: MFCD00798516

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1219
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/38-67
• Safety Statements: 16-26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H336
• GHS Precautionary statements: P210-P280G-P305+P351+P338

Product Information

• Purity: 2.5% w/v in isopropanol, 99% (metals basis)