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

• ChemBase ID: 272236
• Molecular Formular: C9H13Cl2N3
• Molecular Mass: 234.12562
• Monoisotopic Mass: 233.04865279
• SMILES: c12n(cc(n1)CN)cccc2C.Cl.Cl
• Canonical SMILES: NCc1cn2c(n1)c(C)ccc2.Cl.Cl
• InChI: InChI=1S/C9H11N3.2ClH/c1-7-3-2-4-12-6-8(5-10)11-9(7)12;;/h2-4,6H,5,10H2,1H3;2*1H
• InChIKey: AKAYOMLIOQZSBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06739263
• PubChem SID: 164328146
• PubChem CID: 50988319

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.857

Product Information

• Purity: 95%