triethyl(methyl)azanium bromide

• ChemBase ID: 137257
• Molecular Formular: C7H18BrN
• Molecular Mass: 196.12852
• Monoisotopic Mass: 195.06226158
• SMILES: CC[N+](C)(CC)CC.[Br-]
• Canonical SMILES: CC[N+](CC)(CC)C.[Br-]
• InChI: InChI=1S/C7H18N.BrH/c1-5-8(4,6-2)7-3;/h5-7H2,1-4H3;1H/q+1;/p-1
• InChIKey: GRVPDGGTLNKOBZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triethyl(methyl)azanium bromide
• IUPAC Traditional name: triethyl(methyl)azanium bromide
• Synonyms: Methyltriethylammonium bromide; Triethylmethylammonium bromide; N,N-Diethyl-N-methylethanaminium bromide; 甲基三乙基溴化铵; 三乙基甲基溴化铵

Database IDs

• CAS Number: 2700-16-5
• EC Number: 220-282-0
• MDL Number: MFCD00043177
• Beilstein Number: 3912431
• PubChem SID: 24889375; 162231522
• PubChem CID: 3083778

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.9017432
• LogD (pH = 7.4): -2.9017432
• Log P: -2.9017432
• Molar Refractivity: 50.1475 cm^3
• Polarizability: 15.112125 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 307 °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: ≥99.0%; 95+%; 99%
• Linear Formula: (C2H5)3N(Br)CH3

DETAILS

Sigma Aldrich - 90485

Packaging
100 g in glass bottle