N,N,N-triethylanilinium iodide

• ChemBase ID: 292028
• Molecular Formular: C12H20IN
• Molecular Mass: 305.19837
• Monoisotopic Mass: 305.06404765
• SMILES: [I-].CC[N+](CC)(CC)c1ccccc1
• Canonical SMILES: CC[N+](c1ccccc1)(CC)CC.[I-]
• InChI: InChI=1S/C12H20N.HI/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: WMSWXWGJYOIACA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,N-triethylanilinium iodide
• IUPAC Traditional name: N,N,N-triethylanilinium iodide
• Synonyms: N,N,N-Triethylbenzenaminium iodide; N,N,N-Triethylanilinium iodide; Triethylphenylammonium iodide; Phenyltriethylammonium iodide; 苯基三乙基碘化铵

Database IDs

• CAS Number: 1010-19-1
• EC Number: 213-774-1
• MDL Number: MFCD00050224
• Beilstein Number: 3918424
• PubChem SID: 180677559
• PubChem CID: 70524

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

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• UN Number: UN2811
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H331-H302-H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 98%