ethyl(methyl){tris[ethyl(methyl)amino]titanio}amine

• ChemBase ID: 147007
• Molecular Formular: C12H32N4Ti
• Molecular Mass: 280.27628
• Monoisotopic Mass: 280.21064334
• SMILES: CCN(C)[Ti](N(C)CC)(N(C)CC)N(C)CC
• Canonical SMILES: CCN([Ti](N(CC)C)(N(CC)C)N(CC)C)C
• InChI: InChI=1S/4C3H8N.Ti/c4*1-3-4-2;/h4*3H2,1-2H3;/q4*-1;+4
• InChIKey: LNKYFCABELSPAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(methyl){tris[ethyl(methyl)amino]titanio}amine
• IUPAC Traditional name: ethyl(methyl){tris[ethyl(methyl)amino]titanio}amine
• Synonyms: Tetrakis(ethylmethylamino)titanium(IV); Tetrakis(ethylmethylamido)titanium(IV); 四(乙基甲基氨基)钛(IV); 四(乙基甲基胺基)钛(IV)

Database IDs

• CAS Number: 308103-54-0
• MDL Number: MFCD00799591
• PubChem SID: 24870915; 162241199
• PubChem CID: 4439979

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.6565382
• LogD (pH = 7.4): -2.7864974
• Log P: 0.5228
• Molar Refractivity: 74.568 cm^3
• Polarizability: 32.39092 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 80 °C/0.1 mmHg(lit.)
• Flash Point: 2 °C; 35.6 °F
• Density: 0.923 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3398
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14-34
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314
• GHS Precautionary statements: P210-P223-P231 + P232-P280-P370 + P378-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 1
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.99%
• Grade: electronic grade
• Linear Formula: [(CH3C2H5)N]4Ti

DETAILS

Sigma Aldrich - 473537

Application
Precursor to titanium nitride (TiN) thin films by organometallic chemical vapor deposition (OMCVD).1
General description
Atomic number of base material: 22 Titanium
Other Notes
Please inquire for bulk quantity, pricing, and packaging options.
Packaging
5 g in ampule