(cyclopentylmethyl)trimethylazanium cyclopentane iron iodide

• ChemBase ID: 112574
• Molecular Formular: C14H30FeIN
• Molecular Mass: 395.14417
• Monoisotopic Mass: 395.07723547
• SMILES: [Fe].[I-].C1CCCC1.C[N+](C)(C)CC1CCCC1
• Canonical SMILES: C1CCCC1.C[N+](CC1CCCC1)(C)C.[Fe].[I-]
• InChI: InChI=1S/C9H20N.C5H10.Fe.HI/c1-10(2,3)8-9-6-4-5-7-9;1-2-4-5-3-1;;/h9H,4-8H2,1-3H3;1-5H2;;1H/q+1;;;/p-1
• InChIKey: GVSOEKDFOLEPFH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclopentylmethyl)trimethylazanium cyclopentane iron iodide
• IUPAC Traditional name: (cyclopentylmethyl)trimethylazanium cyclopentamin iron iodide
• Synonyms: (FERROCENYL METHYL)TRIMETHYL AMMONIUM IODIDE

Database IDs

• CAS Number: 12086-40-7
• PubChem SID: 162097349
• PubChem CID: 25113412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.3024526
• LogD (pH = 7.4): -2.3024526
• Log P: -2.3024526
• Molar Refractivity: 57.0457 cm^3
• Polarizability: 18.064388 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224686

MP Biomedicals Rare Chemical collection