tert-butyl[(tert-butylamino)bis(tert-butylimino)tungstenio]amine

• ChemBase ID: 143507
• Molecular Formular: C16H38N4W
• Molecular Mass: 470.33972
• Monoisotopic Mass: 470.26057824
• SMILES: CC(C)(C)N[W](=NC(C)(C)C)(=NC(C)(C)C)NC(C)(C)C
• Canonical SMILES: CC(N[W](=NC(C)(C)C)(=NC(C)(C)C)NC(C)(C)C)(C)C
• InChI: InChI=1S/2C4H10N.2C4H9N.W/c4*1-4(2,3)5;/h2*5H,1-3H3;2*1-3H3;/q2*-1;;;+2
• InChIKey: SJPFZRACRCONRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl[(tert-butylamino)bis(tert-butylimino)tungstenio]amine
• IUPAC Traditional name: tert-butyl[(tert-butylamino)bis(tert-butylimino)tungstenio]amine
• Synonyms: Bis(tert-butylimino)bis(tert-butylamino)tungsten

Database IDs

• MDL Number: MFCD16876130
• PubChem SID: 162237726
• PubChem CID: 10950788

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 18.335491
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.46100247
• LogD (pH = 7.4): 0.63926786
• Log P: 3.2838
• Molar Refractivity: 111.239 cm^3
• Polarizability: 42.019722 Å^3
• Polar Surface Area: 48.78 Å^2
• Rotatable Bonds: 6

PROPERTIES

Physical Property

• Melting Point: 78-91 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3395
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-15-34
• Safety Statements: 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H261-H314
• GHS Precautionary statements: P210-P231 + P232-P280-P305 + P351 + P338-P310-P422
• RID/ADR: UN 3395 4.3/PG 1

Product Information

• Purity: 99.9% trace metals basis
• Linear Formula: (C4H9NH)2W(C4H9N)2

DETAILS

Sigma Aldrich - 718688

Packaging
1 g in glass bottle