imidazo[1,2-a]pyridin-3-ylmethanamine

• ChemBase ID: 310439
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n12c(ncc1CN)cccc2
• Canonical SMILES: NCc1cnc2n1cccc2
• InChI: InChI=1S/C8H9N3/c9-5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6H,5,9H2
• InChIKey: HMKNKWJIRCGBBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-3-ylmethanamine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-3-ylmethanamine
• Synonyms: (imidazo[1,2-a]pyridin-3-ylmethyl)amine

Database IDs

• CAS Number: 160771-89-1
• MDL Number: MFCD06739051

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2719593
• LogD (pH = 7.4): -1.5642023
• Log P: -0.19468102
• Molar Refractivity: 44.2873 cm^3
• Polarizability: 16.651777 Å^3
• Polar Surface Area: 43.32 Å^2