tetramethylazanium acetate

• ChemBase ID: 106965
• Molecular Formular: C6H15NO2
• Molecular Mass: 133.1888
• Monoisotopic Mass: 133.11027873
• SMILES: CC(=O)[O-].C[N+](C)(C)C
• Canonical SMILES: C[N+](C)(C)C.[O-]C(=O)C
• InChI: InChI=1S/C4H12N.C2H4O2/c1-5(2,3)4;1-2(3)4/h1-4H3;1H3,(H,3,4)/q+1;/p-1
• InChIKey: MRYQZMHVZZSQRT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium acetate
• IUPAC Traditional name: acetate ion; tetramethylammonium ion; tetramethylammonium acetate
• Synonyms: TETRAMETHYLAMMONIUM ACETATE, 50% SOLN; Tetramethylammonium acetate; Tetramethylammonium acetate; 四甲基醋酸铵

Database IDs

• CAS Number: 10581-12-1
• EC Number: 234-179-3
• MDL Number: MFCD00011630
• Beilstein Number: 3571830
• PubChem SID: 24854730; 162093242
• PubChem CID: 82741

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (NT); 90%; 95+%
• Grade: technical; technical grade
• Linear Formula: (CH3)4N(OCOCH3)

DETAILS

MP Biomedicals - 05202075

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 245070

Packaging
5, 25 g in glass bottle