ethyltrimethylazanium iodide

• ChemBase ID: 158276
• Molecular Formular: C5H14IN
• Molecular Mass: 215.07583
• Monoisotopic Mass: 215.01709745
• SMILES: CC[N+](C)(C)C.[I-]
• Canonical SMILES: CC[N+](C)(C)C.[I-]
• InChI: InChI=1S/C5H14N.HI/c1-5-6(2,3)4;/h5H2,1-4H3;1H/q+1;/p-1
• InChIKey: ZPEBBUBSCOELHI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyltrimethylazanium iodide
• IUPAC Traditional name: ethyltrimethylammonium iodide
• Synonyms: Ethyltrimethylammonium iodide; 乙基三甲基碘化铵

Database IDs

• CAS Number: 51-93-4
• EC Number: 200-131-5
• MDL Number: MFCD00054229
• Beilstein Number: 3911187
• PubChem SID: 162252412; 24845649
• PubChem CID: 66125

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.6153593
• LogD (pH = 7.4): -3.6153593
• Log P: -3.6153593
• Molar Refractivity: 40.6503 cm^3
• Polarizability: 11.4186945 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: BQ6045000
• 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: ≥99.0%
• Linear Formula: CH3CH2N(I)(CH3)3