7,8-dimethylquinolin-5-amine

• ChemBase ID: 281547
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12c(c(cc(c1C)C)N)cccn2
• Canonical SMILES: Cc1cc(N)c2c(c1C)nccc2
• InChI: InChI=1S/C11H12N2/c1-7-6-10(12)9-4-3-5-13-11(9)8(7)2/h3-6H,12H2,1-2H3
• InChIKey: ZVVPYTVSHKUXNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,8-dimethylquinolin-5-amine
• IUPAC Traditional name: 7,8-dimethylquinolin-5-amine
• Synonyms: 7,8-dimethylquinolin-5-amine

Database IDs

• MDL Number: MFCD20501927
• PubChem SID: 180667078
• PubChem CID: 54595424

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9838654
• LogD (pH = 7.4): 2.321846
• Log P: 2.3288174
• Molar Refractivity: 54.7621 cm^3
• Polarizability: 21.68909 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124 - 126°C
• Hydrophobicity(logP): 2.425

Product Information

• Purity: 95%