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

• ChemBase ID: 310401
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: c12n(cc(n1)CN)cccc2C
• Canonical SMILES: NCc1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C9H11N3/c1-7-3-2-4-12-6-8(5-10)11-9(7)12/h2-4,6H,5,10H2,1H3
• InChIKey: BZCVHNHCTCEWTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 518064-47-6
• MDL Number: MFCD07374373

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.298067
• LogD (pH = 7.4): -0.7258183
• Log P: 0.48021114
• Molar Refractivity: 48.9288 cm^3
• Polarizability: 18.417574 Å^3
• Polar Surface Area: 43.32 Å^2