8-methylquinolin-5-amine

• ChemBase ID: 14509
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c12c(c(ccc1N)C)nccc2
• Canonical SMILES: Nc1ccc(c2c1cccn2)C
• InChI: InChI=1S/C10H10N2/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h2-6H,11H2,1H3
• InChIKey: PILPIITVELSUBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methylquinolin-5-amine
• IUPAC Traditional name: 8-methylquinolin-5-amine
• Synonyms: 8-methylquinolin-5-amine; 8-methyl-5-quinolinamine; 8-Methyl-quinolin-5-ylamine

Database IDs

• CAS Number: 50358-40-2
• MDL Number: MFCD03724045
• PubChem SID: 160977816
• PubChem CID: 304808

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6318947
• LogD (pH = 7.4): 1.8124598
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.926636 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.976

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%