ol

• ChemBase ID: 162325
• Molecular Formular: C10H16I2NO
• Molecular Mass: 420.04908
• Monoisotopic Mass: 419.93213514
• SMILES: C1(=C(C(N(C1(C)C)[O])(C)C)CI)CI
• Canonical SMILES: ICC1=C(CI)C(N(C1(C)C)[O])(C)C
• InChI: InChI=1S/C10H16I2NO/c1-9(2)7(5-11)8(6-12)10(3,4)13(9)14/h5-6H2,1-4H3
• InChIKey: YUJVXMGQJFEMBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ol
• IUPAC Traditional name: tyrosine(.)
• Synonyms: 3,4-Bis(iodomethyl)-2,5-dihydro-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy Radical

Database IDs

• PubChem SID: 162256460
• PubChem CID: 71314084

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1261632
• LogD (pH = 7.4): 3.1261632
• Log P: 3.1261632
• Molar Refractivity: 76.4797 cm^3
• Polarizability: 30.144331 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B448740

A bis-iodomethyl nitroxide compound. A highly reactive spin-label compound.