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

• ChemBase ID: 55217
• Molecular Formular: C8H11Cl2N3
• Molecular Mass: 220.09904
• Monoisotopic Mass: 219.03300273
• SMILES: n12c(ncc1CN)cccc2.Cl.Cl
• Canonical SMILES: NCc1cnc2n1cccc2.Cl.Cl
• InChI: InChI=1S/C8H9N3.2ClH/c9-5-7-6-10-8-3-1-2-4-11(7)8;;/h1-4,6H,5,9H2;2*1H
• InChIKey: XNOITURAHACDKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 160771-89-1
• MDL Number: MFCD11506242
• PubChem SID: 162059980
• PubChem CID: 52991728

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