imidazo[1,2-a]pyridin-6-amine

• ChemBase ID: 65021
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c1(ccc2n(c1)ccn2)N
• Canonical SMILES: Nc1ccc2n(c1)ccn2
• InChI: InChI=1S/C7H7N3/c8-6-1-2-7-9-3-4-10(7)5-6/h1-5H,8H2
• InChIKey: FBEUDMIHYYXAJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-6-amine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-6-amine
• Synonyms: Imidazo[1,2-a]pyridin-6-amine

Database IDs

• CAS Number: 235106-53-3
• MDL Number: MFCD06739232
• PubChem SID: 162030760
• PubChem CID: 11344042

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1107336
• LogD (pH = 7.4): -0.44640636
• Log P: -0.06937653
• Molar Refractivity: 40.6368 cm^3
• Polarizability: 14.41728 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.879

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 97%