2-methylquinolin-5-amine

• ChemBase ID: 92034
• Molecular Formular: C10H10N2
• Molecular Mass: 158.1998
• Monoisotopic Mass: 158.08439833
• SMILES: n1c(ccc2c(cccc12)N)C
• Canonical SMILES: Cc1ccc2c(n1)cccc2N
• InChI: InChI=1S/C10H10N2/c1-7-5-6-8-9(11)3-2-4-10(8)12-7/h2-6H,11H2,1H3
• InChIKey: UNSLQFMTPYHZDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-5-amine
• IUPAC Traditional name: 2-methylquinolin-5-amine
• Synonyms: 5-Aminoquinaldine; 2-Methylquinoline-5-amine; 5-Amino-2-methylquinoline; 2-Methylquinolin-5-amine

Database IDs

• CAS Number: 54408-50-3
• MDL Number: MFCD00457006
• PubChem SID: 162078732
• PubChem CID: 148683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9006289
• LogD (pH = 7.4): 1.4198673
• Log P: 1.4333447
• Molar Refractivity: 49.2712 cm^3
• Polarizability: 19.925371 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 117-118°C
• Partition Coefficient: 1.693

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95+%