ethyl[tris(diethylamino)tantalumylidene]amine

• ChemBase ID: 137795
• Molecular Formular: C14H35N4Ta
• Molecular Mass: 440.4024
• Monoisotopic Mass: 440.23416714
• SMILES: CCN=[Ta](N(CC)CC)(N(CC)CC)N(CC)CC
• Canonical SMILES: CCN=[Ta](N(CC)CC)(N(CC)CC)N(CC)CC
• InChI: InChI=1S/3C4H10N.C2H5N.Ta/c3*1-3-5-4-2;1-2-3;/h3*3-4H2,1-2H3;2H2,1H3;/q3*-1;;+3
• InChIKey: ZLKUSFBEBZOVGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[tris(diethylamino)tantalumylidene]amine
• IUPAC Traditional name: ethyl[tris(diethylamino)tantalumylidene]amine
• Synonyms: Tris(diethylamino)(ethylimino)tantalum(V); Tris(diethylamido)(ethylimido)tantalum(V); 三(二乙氨基)(乙基亚氨基)钽(V); 三(二乙基氨基)(乙基酰亚胺基)钽(V)

Database IDs

• CAS Number: 67313-80-8
• MDL Number: MFCD03093879
• PubChem SID: 24873976; 162232056
• PubChem CID: 4067399

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7439726
• LogD (pH = 7.4): -0.74384606
• Log P: 1.8287
• Molar Refractivity: 83.3171 cm^3
• Polarizability: 38.950764 Å^3
• Polar Surface Area: 22.08 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 2 °C; 35.6 °F
• Density: 1.31 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.51(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 2924
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-34
• Safety Statements: 16-26-27-36/37/39
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

Product Information

• Purity: 99.99% trace metals basis
• Linear Formula: C2H5NTa(N(C2H5)2)3

DETAILS

Sigma Aldrich - 517836

General description
Atomic number of base material: 73 Tantalum