4-methylquinolin-8-amine

• ChemBase ID: 78288
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1ccc(c2cccc(c12)N)C
• Canonical SMILES: Cc1ccnc2c1cccc2N
• InChI: InChI=1S/C10H10N2/c1-7-5-6-12-10-8(7)3-2-4-9(10)11/h2-6H,11H2,1H3
• InChIKey: JRIMCEIADALFEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylquinolin-8-amine
• IUPAC Traditional name: 4-methylquinolin-8-amine
• Synonyms: 4-Methylquinolin-8-amine; 8-Amino-4-methylquinoline

Database IDs

• CAS Number: 62748-01-0
• MDL Number: MFCD03819702
• PubChem SID: 162043063
• PubChem CID: 97374

CALCULATED PROPERTIES

• Acid pKa: 19.951962
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7319348
• LogD (pH = 7.4): 1.8142275
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.928225 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Air Sensitive/Keep Cold/Store under Argon