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

• ChemBase ID: 121026
• Molecular Formular: C9H13Cl2N3
• Molecular Mass: 234.12562
• Monoisotopic Mass: 233.04865279
• SMILES: n12c(nc(c1)CCN)cccc2.Cl.Cl
• Canonical SMILES: NCCc1nc2n(c1)cccc2.Cl.Cl
• InChI: InChI=1S/C9H11N3.2ClH/c10-5-4-8-7-12-6-2-1-3-9(12)11-8;;/h1-3,6-7H,4-5,10H2;2*1H
• InChIKey: NLCXCMRDFSSNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08143666
• PubChem SID: 162215379
• PubChem CID: 21522443

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3124862
• LogD (pH = 7.4): -1.927617
• Log P: 0.20380248
• Molar Refractivity: 48.587 cm^3
• Polarizability: 18.421299 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.467

Product Information

• Purity: 95%
• Salt Data: 2 HCl