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

• ChemBase ID: 240104
• Molecular Formular: C10H15Cl2N3
• Molecular Mass: 248.1522
• Monoisotopic Mass: 247.06430286
• SMILES: n12c(nc(c1)CCN)cccc2C.Cl.Cl
• Canonical SMILES: NCCc1cn2c(n1)cccc2C.Cl.Cl
• InChI: InChI=1S/C10H13N3.2ClH/c1-8-3-2-4-10-12-9(5-6-11)7-13(8)10;;/h2-4,7H,5-6,11H2,1H3;2*1H
• InChIKey: MRECGIXTYOTDCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22378785
• PubChem SID: 164296014
• PubChem CID: 71756464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1437273
• LogD (pH = 7.4): -1.7296282
• Log P: 0.40336382
• Molar Refractivity: 53.7367 cm^3
• Polarizability: 20.187067 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.966

Product Information

• Purity: 95%