2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-amine

• ChemBase ID: 307675
• Molecular Formular: C9H11N3
• Molecular Mass: 161.20374
• Monoisotopic Mass: 161.09529737
• SMILES: n12c(ncc1CCN)cccc2
• Canonical SMILES: NCCc1cnc2n1cccc2
• InChI: InChI=1S/C9H11N3/c10-5-4-8-7-11-9-3-1-2-6-12(8)9/h1-3,6-7H,4-5,10H2
• InChIKey: UAFQGHLRYNSXJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-3-yl}ethan-1-amine
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-3-yl}ethanamine
• Synonyms: (2-imidazo[1,2-a]pyridin-3-ylethyl)amine

Database IDs

• CAS Number: 664367-52-6
• MDL Number: MFCD09924516

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9938998
• LogD (pH = 7.4): -2.5338998
• Log P: -0.13472128
• Molar Refractivity: 49.1527 cm^3
• Polarizability: 18.41792 Å^3
• Polar Surface Area: 43.32 Å^2