N-methylquinolin-2-amine

• ChemBase ID: 275329
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c(NC)ccc2c1cccc2
• Canonical SMILES: CNc1ccc2c(n1)cccc2
• InChI: InChI=1S/C10H10N2/c1-11-10-7-6-8-4-2-3-5-9(8)12-10/h2-7H,1H3,(H,11,12)
• InChIKey: POVSMFKXVSNGSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylquinolin-2-amine
• IUPAC Traditional name: N-methylquinolin-2-amine
• Synonyms: N-methylquinolin-2-amine

Database IDs

• CAS Number: 52430-43-0
• MDL Number: MFCD10697835
• PubChem SID: 164331239
• PubChem CID: 12548157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5948633
• LogD (pH = 7.4): 2.1812665
• Log P: 2.198136
• Molar Refractivity: 50.4866 cm^3
• Polarizability: 20.006742 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 2.5

Product Information

• Purity: 95%; 98%