tetramethylazanium; triiodan-2-uide

• ChemBase ID: 112743
• Molecular Formular: C4H12I3N
• Molecular Mass: 454.85819
• Monoisotopic Mass: 454.81039339
• SMILES: [I-](I)I.C[N+](C)(C)C
• Canonical SMILES: C[N+](C)(C)C.I[I-]I
• InChI: InChI=1S/C4H12N.I3/c1-5(2,3)4;1-3-2/h1-4H3;/q+1;-1
• InChIKey: RLEPOMATZDXXRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethylazanium; triiodan-2-uide
• IUPAC Traditional name: tetramethylammonium; triiodan-2-uide
• Synonyms: TETRAMETHYL AMMONIUM TRIIODIDE

Database IDs

• PubChem SID: 162106881
• PubChem CID: 6400179

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05225618

MP Biomedicals Rare Chemical collection