6-bromoquinolin-4-amine

• ChemBase ID: 179909
• Molecular Formular: C9H7BrN2
• Molecular Mass: 223.06928
• Monoisotopic Mass: 221.97926023
• SMILES: c1cc2nccc(c2cc1Br)N
• Canonical SMILES: Brc1ccc2c(c1)c(N)ccn2
• InChI: InChI=1S/C9H7BrN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
• InChIKey: FNXZGQRYAJYZLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromoquinolin-4-amine
• IUPAC Traditional name: 6-bromoquinolin-4-amine
• Synonyms: 4-Amino-6-bromoquinoline

Database IDs

• CAS Number: 65340-73-0
• MDL Number: MFCD03407953
• PubChem SID: 164235819
• PubChem CID: 2756374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8373189
• LogD (pH = 7.4): 1.8054655
• Log P: 2.070727
• Molar Refractivity: 52.3025 cm^3
• Polarizability: 20.760868 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%