N,N,N-triethylanilinium chloride

• ChemBase ID: 287440
• Molecular Formular: C12H20ClN
• Molecular Mass: 213.7469
• Monoisotopic Mass: 213.12842733
• SMILES: CC[N+](CC)(CC)c1ccccc1.[Cl-]
• Canonical SMILES: CC[N+](c1ccccc1)(CC)CC.[Cl-]
• InChI: InChI=1S/C12H20N.ClH/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H/q+1;/p-1
• InChIKey: ICTMDIORIDZWQN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N-triethylanilinium chloride
• IUPAC Traditional name: N,N,N-triethylanilinium chloride
• Synonyms: N,N,N-Triethylbenzenaminium chloride

Database IDs

• CAS Number: 7430-15-1
• MDL Number: MFCD00059974
• PubChem SID: 180672971
• PubChem CID: 5743346

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.8966261
• LogD (pH = 7.4): -0.8966261
• Log P: -0.8966261
• Molar Refractivity: 69.9251 cm^3
• Polarizability: 22.875923 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%