tert-butyl(trimethylsilyl)amine

• ChemBase ID: 146876
• Molecular Formular: C7H19NSi
• Molecular Mass: 145.31796
• Monoisotopic Mass: 145.12867615
• SMILES: CC(C)(C)N[Si](C)(C)C
• Canonical SMILES: CC(N[Si](C)(C)C)(C)C
• InChI: InChI=1S/C7H19NSi/c1-7(2,3)8-9(4,5)6/h8H,1-6H3
• InChIKey: GVHIREZHTRULPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(trimethylsilyl)amine
• IUPAC Traditional name: tert-butyl(trimethylsilyl)amine
• Synonyms: N-(Trimethylsilyl)-tert-butylamine; N-tert-Butyltrimethylsilylamine; N-(三甲基硅基)-叔丁胺; N-叔丁基三甲基硅基胺

Database IDs

• CAS Number: 5577-67-3
• MDL Number: MFCD00054891
• Beilstein Number: 1734528
• PubChem SID: 24862959; 24852411; 162241068
• PubChem CID: 138535

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5181568
• LogD (pH = 7.4): -1.3951195
• Log P: 2.1198
• Molar Refractivity: 50.7575 cm^3
• Polarizability: 18.099138 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 118-119 °C(lit.)
• Flash Point: 26 °C; 78.8 °F
• Density: 0.762 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.406(lit.); n20/D 1.407

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 2733 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Linear Formula: (CH3)3SiNHC(CH3)3

DETAILS

Sigma Aldrich - 369330

Packaging
25 g in glass bottle

Sigma Aldrich - 20659

Other Notes
The lithium derivative deprotonates carbon acids in high regioselectivity1