5-bromo-N,N,4,6-tetramethylpyridin-2-amine

• ChemBase ID: 806506
• Molecular Formular: C9H13BrN2
• Molecular Mass: 229.11692
• Monoisotopic Mass: 228.02621043
• SMILES: n1c(cc(c(c1C)Br)C)N(C)C
• Canonical SMILES: CN(c1cc(C)c(c(n1)C)Br)C
• InChI: InChI=1S/C9H13BrN2/c1-6-5-8(12(3)4)11-7(2)9(6)10/h5H,1-4H3
• InChIKey: CISMTWZQYSPXPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-N,N,4,6-tetramethylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-N,N,4,6-tetramethylpyridin-2-amine
• Synonyms: 5-BROMO-N,N,4,6-TETRAMETHYLPYRIDIN-2-AMINE

Database IDs

• CAS Number: 627098-10-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8272778
• LogD (pH = 7.4): 2.8136828
• Log P: 2.871619
• Molar Refractivity: 55.8987 cm^3
• Polarizability: 20.561646 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%