2-methylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 87506
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n12ccccc1nc(c2N)C
• Canonical SMILES: Nc1c(C)nc2n1cccc2
• InChI: InChI=1S/C8H9N3/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,9H2,1H3
• InChIKey: KTIGGQXUSNNTRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-methylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-Methylimidazo[1,2-a]pyridin-3-amine; 3-Amino-2-methylimidazo[1,2-a]pyridine; 2-methylimidazo[1,2-{a}]pyridin-3-amine

Database IDs

• CAS Number: 28036-31-9
• MDL Number: MFCD09800571
• PubChem SID: 162074546
• PubChem CID: 15533833

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3197857
• LogD (pH = 7.4): -0.35650572
• Log P: 0.15128465
• Molar Refractivity: 44.4816 cm^3
• Polarizability: 16.180683 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134-136°C
• Partition Coefficient: 0.744

Safety Information

• Storage Warning: Irritant/Moisture Sensitive/Store under Argon

Product Information

• Purity: 95+%