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

• ChemBase ID: 92905
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: n1c2n(cc1)cc(cc2)CN
• Canonical SMILES: NCc1ccc2n(c1)ccn2
• InChI: InChI=1S/C8H9N3/c9-5-7-1-2-8-10-3-4-11(8)6-7/h1-4,6H,5,9H2
• InChIKey: YGXHRFPVDFQLNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-6-ylmethanamine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-6-ylmethanamine
• Synonyms: imidazo[1,2-a]pyridin-6-ylmethylamine; Imidazo[1,2-a]pyridin-6-ylmethanamine; (Imidazo[1,2-a]pyridin-6-yl)methylamine; 6-(Aminomethyl)imidazo[1,2-a]pyridine 97%

Database IDs

• CAS Number: 132213-03-7
• MDL Number: MFCD08435852
• PubChem SID: 162079603
• PubChem CID: 14813792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.762406
• LogD (pH = 7.4): -2.0477
• Log P: -0.11468214
• Molar Refractivity: 44.4098 cm^3
• Polarizability: 16.651045 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96.5-99°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 95+%; 97%