chlorodibromanuide; tetramethylazanium

• ChemBase ID: 106968
• Molecular Formular: C4H12Br2ClN
• Molecular Mass: 269.40578
• Monoisotopic Mass: 266.90250107
• SMILES: Cl[Br-]Br.C[N+](C)(C)C
• Canonical SMILES: C[N+](C)(C)C.Cl[Br-]Br
• InChI: InChI=1S/C4H12N.Br2Cl/c1-5(2,3)4;1-2-3/h1-4H3;/q+1;-1
• InChIKey: RQEJRMVHBBCBKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodibromanuide; tetramethylazanium
• IUPAC Traditional name: chlorodibromanuide; tetramethylammonium ion
• Synonyms: TETRAMETHYLAMMONIUM CHLORODIBROMIDE

Database IDs

• PubChem SID: 162106026
• PubChem CID: 427841

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 - 05202084

MP Biomedicals Rare Chemical collection