trimethylsilyl N,N-dimethylcarbamate

• ChemBase ID: 137835
• Molecular Formular: C6H15NO2Si
• Molecular Mass: 161.2743
• Monoisotopic Mass: 161.08720526
• SMILES: CN(C)C(=O)O[Si](C)(C)C
• Canonical SMILES: O=C(N(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C6H15NO2Si/c1-7(2)6(8)9-10(3,4)5/h1-5H3
• InChIKey: RDEKHAYBXPYQJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsilyl N,N-dimethylcarbamate
• IUPAC Traditional name: trimethylsilyl N,N-dimethylcarbamate
• Synonyms: DMCTMS; Trimethylsilyl N,N-dimethylcarbamate; 三甲基硅烷 N,N-二甲基氨甲酸盐

Database IDs

• CAS Number: 32115-55-2
• MDL Number: MFCD00042933
• Beilstein Number: 1928814
• PubChem SID: 24863421; 162232096
• PubChem CID: 4305703

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5434
• LogD (pH = 7.4): 1.5434
• Log P: 1.5434
• Molar Refractivity: 37.5265 cm^3
• Polarizability: 16.646929 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74-75 °C/20 mmHg(lit.)
• Flash Point: 13 °C; 55.4 °F
• Density: 0.925 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.418; n20/D 1.418(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥95.0% (GC); 98%
• Grade: purum
• Linear Formula: (CH3)2NCO2Si(CH3)3

DETAILS

Sigma Aldrich - 39860

Other Notes
Silylating agent for alcohols, phenols and carboxylic acids1,2