2-methylquinolin-3-amine

• ChemBase ID: 68274
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c(c(cc2ccccc12)N)C
• Canonical SMILES: Nc1cc2ccccc2nc1C
• InChI: InChI=1S/C10H10N2/c1-7-9(11)6-8-4-2-3-5-10(8)12-7/h2-6H,11H2,1H3
• InChIKey: SCOYSIILKQNHRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-3-amine
• IUPAC Traditional name: 2-methylquinolin-3-amine
• Synonyms: 2-Methylquinolin-3-amine

Database IDs

• CAS Number: 21352-22-7
• MDL Number: MFCD08705651
• PubChem SID: 162034006
• PubChem CID: 12300696

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1396418
• LogD (pH = 7.4): 1.428012
• Log P: 1.4333447
• Molar Refractivity: 49.2712 cm^3
• Polarizability: 19.923832 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%