8-bromo-2-methylquinolin-4-amine

• ChemBase ID: 87892
• Molecular Formular: C10H9BrN2
• Molecular Mass: 237.09586
• Monoisotopic Mass: 235.9949103
• SMILES: n1c(cc(c2cccc(c12)Br)N)C
• Canonical SMILES: Cc1cc(N)c2c(n1)c(Br)ccc2
• InChI: InChI=1S/C10H9BrN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: VXQZWWFUQGSMAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-bromo-2-methylquinolin-4-amine
• IUPAC Traditional name: 8-bromo-2-methylquinolin-4-amine
• Synonyms: 4-Amino-8-bromo-2-methylquinoline

Database IDs

• CAS Number: 288151-51-9
• MDL Number: MFCD08669717
• PubChem SID: 162074932
• PubChem CID: 17039642

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.55675685
• LogD (pH = 7.4): 1.7753345
• Log P: 2.2020974
• Molar Refractivity: 56.894 cm^3
• Polarizability: 22.525232 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%