imidazo[1,2-a]pyridin-8-amine

• ChemBase ID: 66044
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c12n(ccn1)cccc2N
• Canonical SMILES: Nc1cccn2c1ncc2
• InChI: InChI=1S/C7H7N3/c8-6-2-1-4-10-5-3-9-7(6)10/h1-5H,8H2
• InChIKey: LKQXJYDAALZCAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-8-amine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-8-amine
• Synonyms: Imidazo[1,2-a]pyridin-8-ylamine; Imidazo[1,2-a]pyridin-8-amine; Imidazo[1,2-a]pyridin-8-amine; 8-Aminoimidazo[1,2-a]pyridine

Database IDs

• CAS Number: 73221-18-8
• MDL Number: MFCD06739233
• PubChem SID: 162031783
• PubChem CID: 15413215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0094768
• LogD (pH = 7.4): -0.19149612
• Log P: -0.06937653
• Molar Refractivity: 40.6368 cm^3
• Polarizability: 14.42053 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 40 - 43 °C; 40-43°C

Safety Information

• Storage Condition: Store under N2
• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%; 95+%