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

• ChemBase ID: 64635
• Molecular Formular: C8H10ClN3
• Molecular Mass: 183.6381
• Monoisotopic Mass: 183.05632502
• SMILES: n12c(ncc1CN)cccc2.Cl
• Canonical SMILES: NCc1cnc2n1cccc2.Cl
• InChI: InChI=1S/C8H9N3.ClH/c9-5-7-6-10-8-3-1-2-4-11(7)8;/h1-4,6H,5,9H2;1H
• InChIKey: XVBKEJGGGRWUGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-3-ylmethanamine hydrochloride
• IUPAC Traditional name: imidazo[1,2-a]pyridin-3-ylmethanamine hydrochloride
• Synonyms: Imidazo[1,2-a]pyridin-3-ylmethanamine hydrochloride

Database IDs

• CAS Number: 34164-92-6
• MDL Number: MFCD06739234
• PubChem SID: 162030374
• PubChem CID: 44118279

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
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%