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

• ChemBase ID: 55459
• Molecular Formular: C9H13Cl2N3
• Molecular Mass: 234.12562
• Monoisotopic Mass: 233.04865279
• SMILES: c12n(cccc1)cc(n2)C(C)N.Cl.Cl
• Canonical SMILES: CC(c1nc2n(c1)cccc2)N.Cl.Cl
• InChI: InChI=1S/C9H11N3.2ClH/c1-7(10)8-6-12-5-3-2-4-9(12)11-8;;/h2-7H,10H2,1H3;2*1H
• InChIKey: ZIRCCCYAELHTMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18071251
• PubChem SID: 162060222
• PubChem CID: 52988817

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3343873
• LogD (pH = 7.4): -0.89839077
• Log P: 0.535554
• Molar Refractivity: 48.3815 cm^3
• Polarizability: 18.496305 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false