tridodecyl(methyl)azanium chloride

• ChemBase ID: 148862
• Molecular Formular: C37H78ClN
• Molecular Mass: 572.47492
• Monoisotopic Mass: 571.58227918
• SMILES: CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.[Cl-]
• Canonical SMILES: CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C.[Cl-]
• InChI: InChI=1S/C37H78N.ClH/c1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;/h5-37H2,1-4H3;1H/q+1;/p-1
• InChIKey: SBHRWOBHKASWGU-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tridodecyl(methyl)azanium chloride
• IUPAC Traditional name: tridodecyl(methyl)azanium chloride
• Synonyms: Methyltridodecylammonium chloride; Tridodecylmethylammonium chloride; 甲基三(十二烷基)氯化铵; 三(十二烷基)甲基氯化铵

Database IDs

• CAS Number: 7173-54-8
• MDL Number: MFCD00043303
• Beilstein Number: 6031445
• PubChem SID: 24889509; 24889508; 24862829; 162243034
• PubChem CID: 81601

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.669178
• LogD (pH = 7.4): 10.669178
• Log P: 10.669178
• Molar Refractivity: 187.9465 cm^3
• Polarizability: 70.52176 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 33
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 110-112 °C(lit.)

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); 98%
• Grade: purum; Selectophore™
• Description: cationic
• Linear Formula: [CH3(CH2)11]3N(Cl)CH3

DETAILS

Sigma Aldrich - 367729

Packaging
1, 5 g in glass bottle
Application
Chloride doping agent used to prepare multi-gate ion-sensitive field-effect transistors.1

Sigma Aldrich - 91661

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Electroactive component in chloride-selective solvent polymeric membrane electrodes1,2
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH