3-methylquinolin-2-amine

• ChemBase ID: 816066
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1cc2c(cc1)cc(c(n2)N)C
• Canonical SMILES: Cc1cc2ccccc2nc1N
• InChI: InChI=1S/C10H10N2/c1-7-6-8-4-2-3-5-9(8)12-10(7)11/h2-6H,1H3,(H2,11,12)
• InChIKey: NCZOVCDTUUZEEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylquinolin-2-amine
• IUPAC Traditional name: 3-methylquinolin-2-amine
• Synonyms: 2-AMINO-3-METHYLQUINOLINE

Database IDs

• CAS Number: 74844-99-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3970416
• LogD (pH = 7.4): 2.3548746
• Log P: 2.4098535
• Molar Refractivity: 50.0344 cm^3
• Polarizability: 19.923058 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%