methyl N-(trimethylsilyl)carbamate

• ChemBase ID: 302489
• Molecular Formular: C5H13NO2Si
• Molecular Mass: 147.24772
• Monoisotopic Mass: 147.07155519
• SMILES: COC(=O)N[Si](C)(C)C
• Canonical SMILES: COC(=O)N[Si](C)(C)C
• InChI: InChI=1S/C5H13NO2Si/c1-8-5(7)6-9(2,3)4/h1-4H3,(H,6,7)
• InChIKey: JUKSJRIXGQOQTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl N-(trimethylsilyl)carbamate
• IUPAC Traditional name: methyl N-(trimethylsilyl)carbamate
• Synonyms: Methyl N-trimethylsilylcarbamate; N-三甲基硅烷氨基甲酸甲酯

Database IDs

• CAS Number: 18147-09-6
• MDL Number: MFCD00236515
• Beilstein Number: 2350760

CALCULATED PROPERTIES

• Acid pKa: 15.648337
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2969
• LogD (pH = 7.4): 1.2969
• Log P: 1.2969
• Molar Refractivity: 32.6298 cm^3
• Polarizability: 14.818155 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 66-67°C/15mm
• Density: 0.963
• Refractive Index: 1.4267

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P280G-P305+P351+P338

Product Information

• Purity: 96%

REFERENCES

• Silylating agent.