tributyl(methyl)azanium bromide

• ChemBase ID: 152294
• Molecular Formular: C13H30BrN
• Molecular Mass: 280.288
• Monoisotopic Mass: 279.15616197
• SMILES: CCCC[N+](C)(CCCC)CCCC.[Br-]
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)C.[Br-]
• InChI: InChI=1S/C13H30N.BrH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: DHAWHVVWUNNONG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(methyl)azanium bromide
• IUPAC Traditional name: tributyl(methyl)azanium bromide
• Synonyms: Methyltributylammonium bromide; Tributylmethylammonium bromide; Tri-n-butylmethylammonium bromide; Methyltri-n-butylammonium bromide; 甲基三丁基溴化铵; 三丁基甲基溴化铵; 甲基三正丁基溴化铵

Database IDs

• CAS Number: 37026-88-3
• EC Number: 253-313-1
• MDL Number: MFCD00043201
• Beilstein Number: 3704268
• PubChem SID: 24889410; 162246439
• PubChem CID: 10062191

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -4.701068E-4
• LogD (pH = 7.4): -4.701068E-4
• Log P: -4.701068E-4
• Molar Refractivity: 77.5225 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 g/mL, clear, colorless
• Melting Point: 120-122°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; 98%
• Linear Formula: (CH3CH2CH2CH2)3N(Br)CH3

DETAILS

Sigma Aldrich - 90802

Packaging
100 g in glass bottle