5,7-dimethylquinolin-2-amine

• ChemBase ID: 243464
• Molecular Formular: C11H12N2
• Molecular Mass: 172.22638
• Monoisotopic Mass: 172.10004839
• SMILES: c12nc(ccc1c(cc(c2)C)C)N
• Canonical SMILES: Cc1cc(C)c2c(c1)nc(cc2)N
• InChI: InChI=1S/C11H12N2/c1-7-5-8(2)9-3-4-11(12)13-10(9)6-7/h3-6H,1-2H3,(H2,12,13)
• InChIKey: VJVWPHVWZALSKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethylquinolin-2-amine
• IUPAC Traditional name: 5,7-dimethylquinolin-2-amine
• Synonyms: 5,7-dimethylquinolin-2-amine

Database IDs

• MDL Number: MFCD19678426
• PubChem SID: 164299374
• PubChem CID: 64208470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5665903
• LogD (pH = 7.4): 2.7782705
• Log P: 2.9232748
• Molar Refractivity: 55.0756 cm^3
• Polarizability: 21.68546 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.7

Product Information

• Purity: 95%