N,N-dimethyloctadecanamine oxide

• ChemBase ID: 156280
• Molecular Formular: C20H43NO
• Molecular Mass: 313.56152
• Monoisotopic Mass: 313.334465
• SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]
• InChI: InChI=1S/C20H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h4-20H2,1-3H3
• InChIKey: UTTVXKGNTWZECK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyloctadecanamine oxide
• IUPAC Traditional name: N,N-dimethyloctadecanamine oxide
• Synonyms: Dimethylstearylamine oxide; Octadecyldimethylamine oxide; N,N-Dimethyloctadecylamine N-oxide solution

Database IDs

• CAS Number: 2571-88-2
• MDL Number: MFCD00042638
• Beilstein Number: 1957563
• PubChem SID: 24865664; 162250418
• PubChem CID: 17388

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.6102004
• LogD (pH = 7.4): 6.6136093
• Log P: 6.6136546
• Molar Refractivity: 100.3206 cm^3
• Polarizability: 39.260063 Å^3
• Polar Surface Area: 26.88 Å^2
• Rotatable Bonds: 17
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: paste

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Concentration: ~25% in H2O
• Description: non-ionic
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤500 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Linear Formula: CH3(CH2)17N(O)(CH3)2

DETAILS

Sigma Aldrich - 40965

Application
Non-ionic surfactant