3-methylquinolin-4-amine

• ChemBase ID: 247397
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1(c2c(ncc1C)cccc2)N
• Canonical SMILES: Cc1cnc2c(c1N)cccc2
• InChI: InChI=1S/C10H10N2/c1-7-6-12-9-5-3-2-4-8(9)10(7)11/h2-6H,1H3,(H2,11,12)
• InChIKey: LHHFYJQGCWEYNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylquinolin-4-amine
• IUPAC Traditional name: 3-methylquinolin-4-amine
• Synonyms: 3-methylquinolin-4-amine

Database IDs

• MDL Number: MFCD01646081
• PubChem SID: 164303307
• PubChem CID: 817691

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48015732
• LogD (pH = 7.4): 0.80330986
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.921587 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 2.151

Product Information

• Purity: 95%