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

• ChemBase ID: 24539
• Molecular Formular: C8H11Cl2N3
• Molecular Mass: 220.09904
• Monoisotopic Mass: 219.03300273
• SMILES: n1c2n(cc1CN)cccc2.Cl.Cl
• Canonical SMILES: NCc1nc2n(c1)cccc2.Cl.Cl
• InChI: InChI=1S/C8H9N3.2ClH/c9-5-7-6-11-4-2-1-3-8(11)10-7;;/h1-4,6H,5,9H2;2*1H
• InChIKey: MYPGNWBLNHLGBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 165736-20-9
• MDL Number: MFCD04448842
• PubChem SID: 160987846
• PubChem CID: 2771120

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

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 0.158

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: 2HCl