diethyldimethylazanium oxidanide

• ChemBase ID: 151988
• Molecular Formular: C6H17NO
• Molecular Mass: 119.20528
• Monoisotopic Mass: 119.13101417
• SMILES: CC[N+](C)(C)CC.[OH-]
• Canonical SMILES: CC[N+](CC)(C)C.[OH-]
• InChI: InChI=1S/C6H16N.H2O/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H2/q+1;/p-1
• InChIKey: JQDCIBMGKCMHQV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyldimethylazanium oxidanide
• IUPAC Traditional name: diethyldimethylazanium oxidanide
• Synonyms: Diethyldimethylammonium hydroxide solution; 二乙基二甲基氢氧化铵 溶液

Database IDs

• CAS Number: 95500-19-9
• MDL Number: MFCD01074781
• Beilstein Number: 3688152
• PubChem SID: 162246134; 24862892
• PubChem CID: 12025426

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.2585514
• LogD (pH = 7.4): -3.2585514
• Log P: -3.2585514
• Molar Refractivity: 45.3989 cm^3
• Polarizability: 13.265366 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-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 3267 8/PG 2

Product Information

• Concentration: ~20% in H2O (T)
• Linear Formula: (CH3CH2)2N(CH3)2(OH)

DETAILS

Sigma Aldrich - 36813

Packaging
50 mL in poly bottle