trimethyl(octyl)azanium chloride

• ChemBase ID: 152272
• Molecular Formular: C11H26ClN
• Molecular Mass: 207.78384
• Monoisotopic Mass: 207.17537752
• SMILES: CCCCCCCC[N+](C)(C)C.[Cl-]
• Canonical SMILES: CCCCCCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C11H26N.ClH/c1-5-6-7-8-9-10-11-12(2,3)4;/h5-11H2,1-4H3;1H/q+1;/p-1
• InChIKey: AQZSPJRLCJSOED-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl(octyl)azanium chloride
• IUPAC Traditional name: octyltrimethylammonium chloride
• Synonyms: Octyltrimethylammonium chloride; Trimethyloctylammonium chloride; 八烷基三甲基氯化铵; 辛基三甲基氯化铵

Database IDs

• CAS Number: 10108-86-8
• MDL Number: MFCD00059977
• Beilstein Number: 4005082
• PubChem SID: 24886788; 162246417
• PubChem CID: 24949

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.86999345
• LogD (pH = 7.4): -0.86999345
• Log P: -0.86999345
• Molar Refractivity: 68.1793 cm^3
• Polarizability: 22.49962 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 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

Product Information

• Purity: ≥97.0% (AT)
• Linear Formula: CH3(CH2)7N(CH3)3(Cl)

DETAILS

Sigma Aldrich - 75094

Packaging
5 g in poly bottle