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

• ChemBase ID: 239604
• Molecular Formular: C8H10ClN3
• Molecular Mass: 183.6381
• Monoisotopic Mass: 183.05632502
• SMILES: n1c2n(cc1CN)cccc2.Cl
• Canonical SMILES: NCc1nc2n(c1)cccc2.Cl
• InChI: InChI=1S/C8H9N3.ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5,9H2;1H
• InChIKey: OZPNTMFDCPEVJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08445291
• PubChem SID: 164295514
• PubChem CID: 44120854

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8055897
• LogD (pH = 7.4): -1.2443535
• Log P: -0.033210248
• Molar Refractivity: 43.8876 cm^3
• Polarizability: 16.652065 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.358

Product Information

• Purity: 95%