trimethyl[2-(tetradecanoyloxy)ethyl]azanium chloride

• ChemBase ID: 102627
• Molecular Formular: C19H40ClNO2
• Molecular Mass: 349.9794
• Monoisotopic Mass: 349.27475721
• SMILES: [Cl-].CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
• Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C19H40NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-18-17-20(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1
• InChIKey: CNJMYRYCYNAIOF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl[2-(tetradecanoyloxy)ethyl]azanium chloride
• IUPAC Traditional name: trimethyl[2-(tetradecanoyloxy)ethyl]azanium chloride
• Synonyms: MYRISTOYLCHOLINE CHLORIDE; N,N,N-Trimethyl-2-[(1-oxotetradecyl)oxy]ethanaminium Chloride; Myristoylcholine chloride

Database IDs

• CAS Number: 4277-89-8
• EC Number: 224-282-1
• MDL Number: MFCD00050186
• PubChem SID: 162089960; 24897305
• PubChem CID: 77963

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.3696474
• LogD (pH = 7.4): 1.3696474
• Log P: 1.3696474
• Molar Refractivity: 106.5834 cm^3
• Polarizability: 37.96276 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White Crystalline Solid

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: 90-95%

DETAILS

MP Biomedicals - 02102377

Crystalline
Purity: 90-95%