titanium(4+) ion tetrakis(diethylazanide)

• ChemBase ID: 303521
• Molecular Formular: C16H40N4Ti
• Molecular Mass: 336.3826
• Monoisotopic Mass: 336.2732436
• SMILES: CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4]
• Canonical SMILES: CC[N-]CC.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ti+4]
• InChI: InChI=1S/4C4H10N.Ti/c4*1-3-5-4-2;/h4*3-4H2,1-2H3;/q4*-1;+4
• InChIKey: VJDVOZLYDLHLSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion tetrakis(diethylazanide)
• IUPAC Traditional name: titanium(4+) ion tetrakis(diethylazanide)
• Synonyms: Titanium diethylamide; Tetrakis(diethylamino)titanium(IV); 四(乙氨基)钛(IV)

Database IDs

• CAS Number: 4419-47-0
• MDL Number: MFCD00015648

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.7150512
• LogD (pH = 7.4): -2.3893538
• Log P: 0.5207374
• Molar Refractivity: 23.5906 cm^3
• Polarizability: 8.950057 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 133°C/1.2mm
• Density: 0.95
• Refractive Index: 1.5370

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3129
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 15-34
• Safety Statements: 7/8-20-26-33-36/37/39-43-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H261-H314-H318
• GHS Precautionary statements: P231+P232-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 99.99% (metals basis)