(cyclopropylmethyl)trimethylazanium iodide

• ChemBase ID: 109017
• Molecular Formular: C7H16IN
• Molecular Mass: 241.11311
• Monoisotopic Mass: 241.03274752
• SMILES: [I-].C[N+](C)(C)CC1CC1
• Canonical SMILES: C[N+](CC1CC1)(C)C.[I-]
• InChI: InChI=1S/C7H16N.HI/c1-8(2,3)6-7-4-5-7;/h7H,4-6H2,1-3H3;1H/q+1;/p-1
• InChIKey: BEJANMZWXMSYMW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopropylmethyl)trimethylazanium iodide
• IUPAC Traditional name: (cyclopropylmethyl)trimethylazanium iodide
• Synonyms: CYCLOPROPYLMETHYLTRIMETHYLAMMONIUM IODIDE

Database IDs

• CAS Number: 73664-02-5
• PubChem SID: 162094648
• PubChem CID: 52009

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1915898
• LogD (pH = 7.4): -3.1915898
• Log P: -3.1915898
• Molar Refractivity: 47.8437 cm^3
• Polarizability: 14.371663 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05209541

MP Biomedicals Rare Chemical collection