4-methylquinolin-7-amine

• ChemBase ID: 288697
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: Cc1ccnc2c1ccc(N)c2
• Canonical SMILES: Nc1ccc2c(c1)nccc2C
• InChI: InChI=1S/C10H10N2/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-6H,11H2,1H3
• InChIKey: MEWHVQCJPFDWIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylquinolin-7-amine
• IUPAC Traditional name: 4-methylquinolin-7-amine
• Synonyms: 4-Methylquinolin-7-amine

Database IDs

• CAS Number: 114058-79-6
• MDL Number: MFCD11101020
• PubChem SID: 180674228
• PubChem CID: 503989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6040668
• LogD (pH = 7.4): 1.5890741
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.922314 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%