6-bromo-3-methylquinolin-2-amine

• ChemBase ID: 87885
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: n1c(c(cc2cc(ccc12)Br)C)N
• Canonical SMILES: Brc1ccc2c(c1)cc(c(n2)N)C
• InChI: InChI=1S/C10H9BrN2/c1-6-4-7-5-8(11)2-3-9(7)13-10(6)12/h2-5H,1H3,(H2,12,13)
• InChIKey: DUFGQFDKOSMTAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-methylquinolin-2-amine
• IUPAC Traditional name: 6-bromo-3-methylquinolin-2-amine
• Synonyms: 2-Amino-6-bromo-3-methylquinoline

Database IDs

• CAS Number: 203506-01-8
• MDL Number: MFCD00272511
• PubChem SID: 162074925
• PubChem CID: 17039634

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8184855
• LogD (pH = 7.4): 3.1714714
• Log P: 3.178606
• Molar Refractivity: 57.6572 cm^3
• Polarizability: 22.517963 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%