2,4,6-tri-tert-butyl-N-(trimethylsilyl)aniline

• ChemBase ID: 138705
• Molecular Formular: C21H39NSi
• Molecular Mass: 333.62656
• Monoisotopic Mass: 333.28517679
• SMILES: CC(C)(C)c1cc(c(c(c1)C(C)(C)C)N[Si](C)(C)C)C(C)(C)C
• Canonical SMILES: C[Si](Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C)C
• InChI: InChI=1S/C21H39NSi/c1-19(2,3)15-13-16(20(4,5)6)18(22-23(10,11)12)17(14-15)21(7,8)9/h13-14,22H,1-12H3
• InChIKey: SWUWRUQQNBTATO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-tri-tert-butyl-N-(trimethylsilyl)aniline
• IUPAC Traditional name: 2,4,6-tri-tert-butyl-N-(trimethylsilyl)aniline
• Synonyms: 2,4,6-Tri-tert-butyl-N-(trimethylsilyl)aniline; 2,4,6-三叔丁基-N-(三甲基甲硅烷基)苯胺

Database IDs

• CAS Number: 101455-63-4
• MDL Number: MFCD00192514
• PubChem SID: 162232956; 24864534
• PubChem CID: 4136520

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.316099
• LogD (pH = 7.4): 7.3161
• Log P: 7.3161
• Molar Refractivity: 103.8186 cm^3
• Polarizability: 41.857697 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 86-88 °C(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Linear Formula: [(CH3)3C]3C6H2NHSi(CH3)3