decyltrimethylazanium chloride

• ChemBase ID: 287170
• Molecular Formular: C13H30ClN
• Molecular Mass: 235.837
• Monoisotopic Mass: 235.20667765
• SMILES: CCCCCCCCCC[N+](C)(C)C.[Cl-]
• Canonical SMILES: CCCCCCCCCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C13H30N.ClH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
• InChIKey: HXWGXXDEYMNGCT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: decyltrimethylazanium chloride
• IUPAC Traditional name: decyltrimethylammonium chloride
• Synonyms: N,N,N-Trimethyldecan-1-aminium chloride

Database IDs

• CAS Number: 10108-87-9
• MDL Number: MFCD00059967
• PubChem SID: 180672701
• PubChem CID: 24951

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.019143853
• LogD (pH = 7.4): 0.019143853
• Log P: 0.019143853
• Molar Refractivity: 77.3813 cm^3
• Polarizability: 26.193508 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%