4-bromo-N,N-diethylpyridin-2-amine

• ChemBase ID: 290610
• Molecular Formular: C9H13BrN2
• Molecular Mass: 229.11692
• Monoisotopic Mass: 228.02621043
• SMILES: CCN(CC)c1nccc(Br)c1
• Canonical SMILES: CCN(c1nccc(c1)Br)CC
• InChI: InChI=1S/C9H13BrN2/c1-3-12(4-2)9-7-8(10)5-6-11-9/h5-7H,3-4H2,1-2H3
• InChIKey: RPWJQOUHBJCQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N,N-diethylpyridin-2-amine
• IUPAC Traditional name: 4-bromo-N,N-diethylpyridin-2-amine
• Synonyms: 4-Bromo-N,N-diethylpyridin-2-amine

Database IDs

• CAS Number: 1142194-28-2
• PubChem SID: 180676141
• PubChem CID: 45787900

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7296367
• LogD (pH = 7.4): 2.9369693
• Log P: 2.9404433
• Molar Refractivity: 55.7632 cm^3
• Polarizability: 20.698475 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 3

PROPERTIES

Product Information

• Purity: 95+%