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

• ChemBase ID: 230678
• Molecular Formular: C8H10BrN3
• Molecular Mass: 228.0891
• Monoisotopic Mass: 227.00580934
• SMILES: n1c2n(cc1CN)cccc2.Br
• Canonical SMILES: NCc1nc2n(c1)cccc2.Br
• InChI: InChI=1S/C8H9N3.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5,9H2;1H
• InChIKey: UTDJGHSBRMAARG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 165736-20-9
• MDL Number: MFCD06671761
• PubChem SID: 164286588
• PubChem CID: 20847988

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: 82 - 84°C
• Hydrophobicity(logP): 0.158

Product Information

• Purity: 95%
• Salt Data: HBr