dodecyl(ethyl)dimethylazanium oxidanide

• ChemBase ID: 158598
• Molecular Formular: C16H37NO
• Molecular Mass: 259.47108
• Monoisotopic Mass: 259.28751481
• SMILES: CCCCCCCCCCCC[N+](C)(C)CC.[OH-]
• Canonical SMILES: CCCCCCCCCCCC[N+](CC)(C)C.[OH-]
• InChI: InChI=1S/C16H36N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H2/q+1;/p-1
• InChIKey: RDMGYRFGSBZYHW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecyl(ethyl)dimethylazanium oxidanide
• IUPAC Traditional name: dodecyl(ethyl)dimethylazanium oxidanide
• Synonyms: Dodecyldimethylethylammonium hydroxide; Dodecylethyldimethylammonium hydroxide; Dimethyldodecylethylammonium hydroxide solution; 十二烷基二甲基乙基氢氧化铵 溶液

Database IDs

• CAS Number: 19184-59-9
• MDL Number: MFCD00036228
• PubChem SID: 162252734; 24867718
• PubChem CID: 16212878

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2650892
• LogD (pH = 7.4): 1.2650892
• Log P: 1.2650892
• Molar Refractivity: 91.3319 cm^3
• Polarizability: 31.734425 Å^3

PROPERTIES

Physical Property

• Flash Point: 11 °C; 51.8 °F

Safety Information

• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 3286
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-23/24/25-34-39/23/24/25
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H311-H314-H331-H370
• GHS Precautionary statements: P210-P260-P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3286 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~1.0 M in methanol
• Grade: purum
• Impurities: ≤0.01% halides (as bromide)
• Linear Formula: CH3(CH2)11N(CH3)2(C2H5)OH