{8-methylimidazo[1,2-a]pyridin-3-yl}methanamine

• ChemBase ID: 307952
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: c12n(c(cn1)CN)cccc2C
• Canonical SMILES: NCc1cnc2n1cccc2C
• InChI: InChI=1S/C9H11N3/c1-7-3-2-4-12-8(5-10)6-11-9(7)12/h2-4,6H,5,10H2,1H3
• InChIKey: PSDUDKHRMOLAJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {8-methylimidazo[1,2-a]pyridin-3-yl}methanamine
• IUPAC Traditional name: {8-methylimidazo[1,2-a]pyridin-3-yl}methanamine
• Synonyms: 1-(8-methylimidazo[1,2-a]pyridin-3-yl)methanamine

Database IDs

• CAS Number: 933707-48-3
• MDL Number: MFCD09864460

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8466308
• LogD (pH = 7.4): -1.0474532
• Log P: 0.31874037
• Molar Refractivity: 49.3285 cm^3
• Polarizability: 18.41727 Å^3
• Polar Surface Area: 43.32 Å^2