niobium(5+) ion pentakis(propan-1-olate)

• ChemBase ID: 303241
• Molecular Formular: C15H35NbO5
• Molecular Mass: 388.34178
• Monoisotopic Mass: 388.15482722
• SMILES: CCC[O-].CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Nb+5]
• Canonical SMILES: [O-]CCC.[O-]CCC.[O-]CCC.[O-]CCC.[O-]CCC.[Nb+5]
• InChI: InChI=1S/5C3H7O.Nb/c5*1-2-3-4;/h5*2-3H2,1H3;/q5*-1;+5
• InChIKey: CGAFRZVAXRQUEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: niobium(5+) ion pentakis(propan-1-olate)
• IUPAC Traditional name: niobium(5+) ion pentakis(propan-1-olate)
• Synonyms: Niobium n-propoxide; 正丙醇铌

Database IDs

• CAS Number: 38874-17-8
• MDL Number: MFCD00144917

CALCULATED PROPERTIES

• Acid pKa: 16.84662
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.36075327
• LogD (pH = 7.4): 0.36075327
• Log P: 0.36075327
• Molar Refractivity: 28.0842 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 166°C/0.05mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 99% (metals basis)