N,N-dimethylnonanamine oxide

• ChemBase ID: 153184
• Molecular Formular: C11H25NO
• Molecular Mass: 187.3223
• Monoisotopic Mass: 187.19361443
• SMILES: CCCCCCCCC[N+](C)(C)[O-]
• Canonical SMILES: CCCCCCCCC[N+](C)(C)[O-]
• InChI: InChI=1S/C11H25NO/c1-4-5-6-7-8-9-10-11-12(2,3)13/h4-11H2,1-3H3
• InChIKey: XZEZLJBGDNUAQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylnonanamine oxide
• IUPAC Traditional name: N,N-dimethylnonanamine oxide
• Synonyms: N,N-Dimethylnonylamine N-oxide; N,N-Dimethylnonylamine N-oxide solution; Detergent Screening Solution 41/Fluka kit no 66317; N,N-Dimethylnonylamine N-oxide 100 mM solution

Database IDs

• CAS Number: 2536-13-2
• MDL Number: MFCD00144982
• Beilstein Number: 2351364
• PubChem SID: 24865639; 24872982; 162247323
• PubChem CID: 5194899

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6090825
• LogD (pH = 7.4): 2.6124914
• Log P: 2.6125367
• Molar Refractivity: 58.9116 cm^3
• Polarizability: 22.650944 Å^3
• Polar Surface Area: 26.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2; 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (NT)
• Description: non-ionic
• Impurities: ≤0.03% peroxides (as H2O2)
• Cation Traces: Ca: ≤500 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: ≤50 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: CH3(CH2)8N(O)(CH3)2