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

• ChemBase ID: 272237
• Molecular Formular: C9H13Cl2N3
• Molecular Mass: 234.12562
• Monoisotopic Mass: 233.04865279
• SMILES: n12c(nc(c1)CN)cccc2C.Cl.Cl
• Canonical SMILES: NCc1cn2c(n1)cccc2C.Cl.Cl
• InChI: InChI=1S/C9H11N3.2ClH/c1-7-3-2-4-9-11-8(5-10)6-12(7)9;;/h2-4,6H,5,10H2,1H3;2*1H
• InChIKey: VVRURJRRUBAZMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-methylimidazo[1,2-a]pyridin-2-yl}methanamine dihydrochloride
• IUPAC Traditional name: {5-methylimidazo[1,2-a]pyridin-2-yl}methanamine dihydrochloride
• Synonyms: {5-methylimidazo[1,2-a]pyridin-2-yl}methanamine dihydrochloride

Database IDs

• MDL Number: MFCD08448227
• PubChem SID: 164328147
• PubChem CID: 54592659

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6087763
• LogD (pH = 7.4): -1.04749
• Log P: 0.16635108
• Molar Refractivity: 49.0373 cm^3
• Polarizability: 18.41777 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 280 - 282°C
• Hydrophobicity(logP): 0.857

Product Information

• Purity: 95%