4-bromo-2,3,5,6-tetramethylaniline

• ChemBase ID: 290497
• Molecular Formular: C10H14BrN
• Molecular Mass: 228.12886
• Monoisotopic Mass: 227.03096145
• SMILES: Nc1c(C)c(C)c(Br)c(C)c1C
• Canonical SMILES: Cc1c(Br)c(C)c(c(c1C)N)C
• InChI: InChI=1S/C10H14BrN/c1-5-7(3)10(12)8(4)6(2)9(5)11/h12H2,1-4H3
• InChIKey: VENKISSLGWHCOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,3,5,6-tetramethylaniline
• IUPAC Traditional name: 4-bromo-2,3,5,6-tetramethylaniline
• Synonyms: 4-Bromo-2,3,5,6-tetramethylaniline

Database IDs

• CAS Number: 53965-69-8
• PubChem SID: 180676028
• PubChem CID: 8167159

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9521573
• LogD (pH = 7.4): 3.966571
• Log P: 3.966758
• Molar Refractivity: 58.546 cm^3
• Polarizability: 21.253323 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%