6-amino-2-methylquinolin-4-ol

• ChemBase ID: 16413
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c12c(c(cc(n1)C)O)cc(cc2)N
• Canonical SMILES: Nc1ccc2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C10H10N2O/c1-6-4-10(13)8-5-7(11)2-3-9(8)12-6/h2-5H,11H2,1H3,(H,12,13)
• InChIKey: VMOLEJRCXLMFFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-2-methylquinolin-4-ol
• IUPAC Traditional name: 6-amino-2-methylquinolin-4-ol
• Synonyms: 6-Amino-2-methyl-quinolin-4-ol; 6-amino-2-methylquinolin-4-ol

Database IDs

• CAS Number: 1131-34-6
• MDL Number: MFCD00460578
• PubChem SID: 160979720
• PubChem CID: 308137

CALCULATED PROPERTIES

• Acid pKa: 11.591742
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1235491
• LogD (pH = 7.4): 1.1296728
• Log P: 1.1297793
• Molar Refractivity: 51.2521 cm^3
• Polarizability: 20.467144 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.263

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: null%
• Classification: Derivatives & analogs of Natural Compounds