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

• ChemBase ID: 279014
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n12c(nc(c1)CN)ccc(c2)C
• Canonical SMILES: NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C9H11N3/c1-7-2-3-9-11-8(4-10)6-12(9)5-7/h2-3,5-6H,4,10H2,1H3
• InChIKey: AXPYEDCFAFVWAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {6-methylimidazo[1,2-a]pyridin-2-yl}methanamine
• IUPAC Traditional name: {6-methylimidazo[1,2-a]pyridin-2-yl}methanamine
• Synonyms: {6-methylimidazo[1,2-a]pyridin-2-yl}methanamine; 1-(6-methylimidazo[1,2-a]pyridin-2-yl)methanamine

Database IDs

• CAS Number: 880361-77-3
• MDL Number: MFCD08669762
• PubChem SID: 164334924
• PubChem CID: 26248964

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.302287
• LogD (pH = 7.4): -0.72980905
• Log P: 0.48021114
• Molar Refractivity: 48.9288 cm^3
• Polarizability: 18.4163 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.857

Product Information

• Purity: 95%