8-methylquinolin-4-amine

• ChemBase ID: 87894
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1ccc(c2cccc(c12)C)N
• Canonical SMILES: Nc1ccnc2c1cccc2C
• InChI: InChI=1S/C10H10N2/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3,(H2,11,12)
• InChIKey: TVZPXEZTWRAIID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 893762-15-7
• MDL Number: MFCD07644577
• PubChem SID: 162074934
• PubChem CID: 16767370

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48820558
• LogD (pH = 7.4): 1.005418
• Log P: 1.815396
• Molar Refractivity: 49.7209 cm^3
• Polarizability: 19.923008 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%