[(tert-butylimino)bis[ethyl(methyl)amino]tantalio](ethyl)methylamine

• ChemBase ID: 144509
• Molecular Formular: C13H33N4Ta
• Molecular Mass: 426.37582
• Monoisotopic Mass: 426.21851708
• SMILES: CCN(C)[Ta](=NC(C)(C)C)(N(C)CC)N(C)CC
• Canonical SMILES: CCN([Ta](=NC(C)(C)C)(N(CC)C)N(CC)C)C
• InChI: InChI=1S/C4H9N.3C3H8N.Ta/c1-4(2,3)5;3*1-3-4-2;/h1-3H3;3*3H2,1-2H3;/q;3*-1;+3
• InChIKey: PDGHBHKZHSFTHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(tert-butylimino)bis[ethyl(methyl)amino]tantalio](ethyl)methylamine
• IUPAC Traditional name: [(tert-butylimino)bis[ethyl(methyl)amino]tantalio](ethyl)methylamine
• Synonyms: Tris(ethylmethylamido)(tert-butylimido)tantalum(V); 三(乙基甲酰胺基)(叔丁基酰亚氨)钽(V)

Database IDs

• CAS Number: 511292-99-2
• MDL Number: MFCD05663776
• PubChem SID: 162238722; 24896189
• PubChem CID: 4643325

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2801726
• LogD (pH = 7.4): -1.2800447
• Log P: 1.2925
• Molar Refractivity: 78.1283 cm^3
• Polarizability: 37.13334 Å^3
• Polar Surface Area: 22.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 17 °C; 62.6 °F
• Density: 1.323 g/mL at 21 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3398
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 10-14/15-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H261-H314
• GHS Precautionary statements: P231 + P232-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3398 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥95% (CP); ≥99.99% trace metals basis
• Grade: electronic grade
• Empirical Formula (Hill Notation): C13H33N4Ta

DETAILS

Sigma Aldrich - J100043

General description
Atomic number of base material: 73 Tantalum
Packaging
5 g in ampule