gadolinium(3+) ion tris(bis(trimethylsilyl)azanide)

• ChemBase ID: 303775
• Molecular Formular: C18H54GdN3Si6
• Molecular Mass: 638.40446
• Monoisotopic Mass: 638.21743594
• SMILES: C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Gd+3]
• Canonical SMILES: C[Si]([N-][Si](C)(C)C)(C)C.C[Si]([N-][Si](C)(C)C)(C)C.C[Si]([N-][Si](C)(C)C)(C)C.[Gd+3]
• InChI: InChI=1S/3C6H18NSi2.Gd/c3*1-8(2,3)7-9(4,5)6;/h3*1-6H3;/q3*-1;+3
• InChIKey: LFWPRLGQJJEPDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: gadolinium(3+) ion tris(bis(trimethylsilyl)azanide)
• IUPAC Traditional name: gadolinium(3+) ion tris(bis(trimethylsilyl)azanide)
• Synonyms: Gadolinium(III) tris[N,N-bis(trimethylsilyl)amide]; Tris[N,N-bis(trimethylsilyl)amide]gadolinium(III); 三[N,N-双(三甲基硅烷)胺]钆(III)

Database IDs

• CAS Number: 35789-03-8
• MDL Number: MFCD03427091

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.8950769
• LogD (pH = 7.4): -0.8299159
• Log P: 2.7111
• Molar Refractivity: 39.3948 cm^3
• Polarizability: 18.492445 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 161-167°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3396
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 11-14/15-34
• Safety Statements: 7/8-16-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H261-H228-H314-H318
• GHS Precautionary statements: P210-P280-P305+P351+P338-P309-P310-P402+P404

Product Information

• Purity: 98%