tantalum(5+) ion tris(diethylazanide) tert-butylazanediide

• ChemBase ID: 303715
• Molecular Formular: C16H41N4Ta
• Molecular Mass: 470.47144
• Monoisotopic Mass: 470.28111733
• SMILES: CC[N-]CC.CC[N-]CC.CC[N-]CC.CC(C)(C)[NH2-2].[Ta+5]
• Canonical SMILES: [NH2-2]C(C)(C)C.CC[N-]CC.CC[N-]CC.CC[N-]CC.[Ta+5]
• InChI: InChI=1S/C4H9N.3C4H10N.Ta/c1-4(2,3)5;3*1-3-5-4-2;/h1-3H3;3*3-4H2,1-2H3;/q-2;3*-1;+5
• InChIKey: LYBLREPPBKVBLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tantalum(5+) ion tris(diethylazanide) tert-butylazanediide
• IUPAC Traditional name: tantalum(5+) ion tris(diethylazanide) tert-butylazanediide
• Synonyms: Tris(diethylamido)(tert-butylimido)tantalum(V); Tantalum tris(diethylamido)-tert-butylimide; 三(二乙基氨基)叔丁酰胺钽

Database IDs

• CAS Number: 169896-41-7
• MDL Number: MFCD02684506

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: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid, Ampouled under argon
• Boiling Point: 90°C/0.1mm

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3129
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 8-20-26-30-36/37/39-45
• TSCA Listed: 否
• 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)