imidazo[1,2-a]pyridin-5-amine

• ChemBase ID: 44572
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: n12c(ncc2)cccc1N
• Canonical SMILES: Nc1cccc2n1ccn2
• InChI: InChI=1S/C7H7N3/c8-6-2-1-3-7-9-4-5-10(6)7/h1-5H,8H2
• InChIKey: XSNBOUDHWWROII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: imidazo[1,2-a]pyridin-5-amine
• IUPAC Traditional name: imidazo[1,2-a]pyridin-5-amine
• Synonyms: Imidazo[1,2-a]pyridin-5-amine

Database IDs

• CAS Number: 66358-23-4
• MDL Number: MFCD05863377
• PubChem SID: 162049335
• PubChem CID: 327952

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8341656
• LogD (pH = 7.4): -0.050210427
• Log P: 0.01991448
• Molar Refractivity: 39.8901 cm^3
• Polarizability: 14.423902 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158 °C; 156-158°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%