(2-chloro-2-methylpropyl)trimethylazanium iodide

• ChemBase ID: 83545
• Molecular Formular: C7H17ClIN
• Molecular Mass: 277.57405
• Monoisotopic Mass: 277.00942523
• SMILES: [N+](CC(Cl)(C)C)(C)(C)C.[I-]
• Canonical SMILES: C[N+](CC(Cl)(C)C)(C)C.[I-]
• InChI: InChI=1S/C7H17ClN.HI/c1-7(2,8)6-9(3,4)5;/h6H2,1-5H3;1H/q+1;/p-1
• InChIKey: XJLLAYGRCWETDG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-2-methylpropyl)trimethylazanium iodide
• IUPAC Traditional name: (2-chloro-2-methylpropyl)trimethylazanium iodide
• Synonyms: (2-chloro-2-methylpropyl)(trimethyl)ammonium iodide

Database IDs

• MDL Number: MFCD00102031
• PubChem SID: 162070662
• PubChem CID: 2780485

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.6105256
• LogD (pH = 7.4): -2.6105256
• Log P: -2.6105256
• Molar Refractivity: 54.302 cm^3
• Polarizability: 16.904388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true