4-iodo-N,N-dimethylaniline

• ChemBase ID: 291795
• Molecular Formular: C8H10IN
• Molecular Mass: 247.07617
• Monoisotopic Mass: 246.98579733
• SMILES: CN(C)c1ccc(cc1)I
• Canonical SMILES: CN(c1ccc(cc1)I)C
• InChI: InChI=1S/C8H10IN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
• InChIKey: QYOPPZJZMFMBDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-iodo-N,N-dimethylaniline
• IUPAC Traditional name: 4-iodo-N,N-dimethylaniline
• Synonyms: 4-Iodo-N,N-dimethylaniline

Database IDs

• CAS Number: 698-70-4
• MDL Number: MFCD00457548
• PubChem SID: 180677326
• PubChem CID: 136531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9637651
• LogD (pH = 7.4): 3.009617
• Log P: 3.010234
• Molar Refractivity: 53.8491 cm^3
• Polarizability: 20.233086 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%