8-chloro-2-methylquinolin-4-amine

• ChemBase ID: 123057
• Molecular Formular: C10H9ClN2
• Molecular Mass: 192.64486
• Monoisotopic Mass: 192.04542598
• SMILES: c12c(c(cc(n1)C)N)cccc2Cl
• Canonical SMILES: Cc1cc(N)c2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C10H9ClN2/c1-6-5-9(12)7-3-2-4-8(11)10(7)13-6/h2-5H,1H3,(H2,12,13)
• InChIKey: AUOKCARPGGOSDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloro-2-methylquinolin-4-amine
• IUPAC Traditional name: 8-chloro-2-methylquinolin-4-amine
• Synonyms: 8-chloro-2-methylquinolin-4-amine; 4-AMINO-8-CHLORO-2-METHYLQUINOLINE

Database IDs

• CAS Number: 68017-48-1
• PubChem SID: 162217410
• PubChem CID: 12465494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.49907145
• LogD (pH = 7.4): 1.7616358
• Log P: 2.0373893
• Molar Refractivity: 54.076 cm^3
• Polarizability: 21.734732 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%