2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethan-1-amine dihydrochloride

• ChemBase ID: 122000
• Molecular Formular: C10H15Cl2N3
• Molecular Mass: 248.1522
• Monoisotopic Mass: 247.06430286
• SMILES: c12n(cc(n1)CCN)ccc(c2)C.Cl.Cl
• Canonical SMILES: NCCc1cn2c(n1)cc(cc2)C.Cl.Cl
• InChI: InChI=1S/C10H13N3.2ClH/c1-8-3-5-13-7-9(2-4-11)12-10(13)6-8;;/h3,5-7H,2,4,11H2,1H3;2*1H
• InChIKey: KBGRPBLPWOTUDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethan-1-amine dihydrochloride
• IUPAC Traditional name: 2-{7-methylimidazo[1,2-a]pyridin-2-yl}ethanamine dihydrochloride
• Synonyms: 2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethanamine dihydrochloride

Database IDs

• PubChem SID: 162216353
• PubChem CID: 16425104

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8178332
• LogD (pH = 7.4): -1.4151828
• Log P: 0.7172239
• Molar Refractivity: 53.6282 cm^3
• Polarizability: 20.187275 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl