7-methylquinolin-8-amine

• ChemBase ID: 16877
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: c1(c2ncccc2ccc1C)N
• Canonical SMILES: Cc1ccc2c(c1N)nccc2
• InChI: InChI=1S/C10H10N2/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,11H2,1H3
• InChIKey: LOVKAXWPSDVFJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methylquinolin-8-amine
• IUPAC Traditional name: 7-methylquinolin-8-amine
• Synonyms: 7-Methyl-8-quinolinamine; 7-Methylquinolin-8-amine; 8-Amino-7-methylquinoline

Database IDs

• CAS Number: 5470-82-6
• MDL Number: MFCD00168259
• PubChem SID: 160980184
• PubChem CID: 231556

CALCULATED PROPERTIES

• Acid pKa: 19.651054
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7674006
• LogD (pH = 7.4): 1.814754
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.92919 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48 °C; 46-48°C

Safety Information

• Storage Condition: Store under N2
• Storage Warning: Harmful/Irritant/Air Sensitive/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >93%