N,N-dimethyldodecanamine oxide

• ChemBase ID: 3767
• Molecular Formular: C14H31NO
• Molecular Mass: 229.40204
• Monoisotopic Mass: 229.24056462
• SMILES: [N+]([O-])(C)(C)CCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)[O-]
• InChI: InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
• InChIKey: SYELZBGXAIXKHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyldodecanamine oxide
• IUPAC Traditional name: lauryldimethylamine oxide; lauryl dimethylamine-N-oxide
• Synonyms: N,N-Dimethyl-1-dodecylamine N-oxide; N,N-Dimethyldodecylamine N-oxide solution; Detergent Screening Solution 43/Fluka kit no 66317; N,N-Dimethyldodecylamine N-oxide solution; N,N-Dimethyldodecylamine N-oxide 100 mM solution; DDAO; LDAO; N,N-Dimethyldodecylamine N-oxide; Lauryldimethylamine N-oxide; Lauryl Dimethylamine-N-Oxide; Lauramine oxide; Dodecyldimethylamine oxide; Dimethyldodecylamine-N-oxide; Lauryldimethylamine oxide; N,N-二甲基-1-十二胺 N-氧化物; 十二烷基二甲基氧化胺 溶液; 月桂基二甲基氧化胺; 十二烷基二甲基氧化胺

Database IDs

• CAS Number: 1643-20-5
• EC Number: 216-700-6
• MDL Number: MFCD00002049
• Beilstein Number: 1769927
• PubChem SID: 24865076; 160967205; 46506355; 24865072; 24865079
• PubChem CID: 15433
• Wikipedia Title: Lauryldimethylamine_oxide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9394372
• LogD (pH = 7.4): 3.9461496
• Log P: 3.9462426
• Molar Refractivity: 72.7146 cm^3
• Polarizability: 28.185562 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 2.23
• LOG S: -6.18
• Solubility (Water): 1.50e-04 g/l

PROPERTIES

Physical Property

• Melting Point: 120-123°C; 132-133 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.969 g/mL at 20 °C; 0.996; 0.996 g/mL at 20 °C; 1.00 g/mL at 20 °C
• Refractive Index: n20/D 1.336; n20/D 1.378
• Absorption Wavelength: λ: 260 nm Amax: ≤0.07; λ: 280 nm Amax: ≤0.06
• pH: 7.0-9.0 (25 °C, 0.1 M in H2O)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: JR6650000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; 3259; UN3259
• German water hazard class: 1; 2
• Hazard Class: 8
• Packing Group: 2; 3; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H314; H314-H318-H303; H315-H318; H315-H319
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338; P280-P305 + P351 + P338-P310; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Faceshields, Gloves, Goggles
• RID/ADR: UN 2735 8/PG 3; UN 3259 8/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99% (titration); ≥99.0% (NT); 95%; 98%
• Concentration: ~0.1 M in H2O; ~30% in H2O
• Description: non-ionic
• Impurities: ≤0.005% peroxides (as H2O2); ≤0.03% peroxides (as H2O2); insoluble matter, passes filter test
• Cation Traces: Al: ≤1 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Bi: ≤1 mg/kg; Ca: ≤10 mg/kg; Ca: ≤5 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤1 mg/kg; Cu: ≤5 mg/kg; Fe: ≤1 mg/kg; Fe: ≤5 mg/kg; K: ≤20 mg/kg; K: ≤50 mg/kg; Li: ≤1 mg/kg; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mo: ≤1 mg/kg; Na: ≤20 mg/kg; Na: ≤50 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Pb: ≤1 mg/kg; Pb: ≤5 mg/kg; Sr: ≤1 mg/kg; Zn: ≤1 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 0.1 M in H2O
• Product Line: BioUltra; BioXtra
• Linear Formula: CH3(CH2)11N(O)(CH3)2
• Empirical Formula (Hill Notation): C14H31NO

DETAILS

DrugBank - DB04147

Drug information: experimental

Sigma Aldrich - D9775

Application
DDAO 是非变性两性离子表面活性剂，临界胶束浓度 (CMC) 约为 1mM。用于溶解蛋白质，研究大分子的构象和分子相互作用。

Sigma Aldrich - 40231

Other Notes
Non-ionic detergent with wide application in biochemistry. Isolation and purification of gap junction channels;1 Completely solubilizes membrane-embedded phosphorhodopsin;2 Resolution of NADH:ubiquinone oxidoreductase from bovine heart mitochondria into 2 subcomplexes.3,4

Sigma Aldrich - 40234

Application
DDAO is a non-denaturing zwitterionic surfactant with a critical micelle concentration (CMC) or approximately 1 mM. It is used to solubilize proteins and to study the conformation and molecular interactions of macromolecules.

Sigma Aldrich - 40236

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 289701

Application
DDAO is a non-denaturing zwitterionic surfactant with a critical micelle concentration (CMC) or approximately 1 mM. It is used to solubilize proteins and to study the conformation and molecular interactions of macromolecules.