4-{imidazo[1,2-a]pyridin-2-yl}aniline

• ChemBase ID: 41459
• Molecular Formular: C13H11N3
• Molecular Mass: 209.24654
• Monoisotopic Mass: 209.09529737
• SMILES: n1c2n(cc1c1ccc(N)cc1)cccc2
• Canonical SMILES: Nc1ccc(cc1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C13H11N3/c14-11-6-4-10(5-7-11)12-9-16-8-2-1-3-13(16)15-12/h1-9H,14H2
• InChIKey: FPCHINCJTRAFAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyridin-2-yl}aniline
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyridin-2-yl}aniline
• Synonyms: 4-(Imidazo[1,2-a]pyrid-2-yl)aniline; 4-Imidazo[1,2-a]pyridin-2-ylphenylamine; 2-(4-Aminophenyl)imidazo[1,2-a]pyridine; 4-Imidazo[1,2-a]pyridin-2-ylaniline; 4-Imidazo[1,2-a]pyridin-2-yl-phenylamine

Database IDs

• CAS Number: 139705-74-1
• MDL Number: MFCD00107394
• PubChem SID: 162046222
• PubChem CID: 696936

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5892619
• LogD (pH = 7.4): 1.956063
• Log P: 1.9636991
• Molar Refractivity: 65.401 cm^3
• Polarizability: 25.442696 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118 - 120°C; 204 - 206 °C; 204-206°C; 206-208°C
• Partition Coefficient: 2.002
• Hydrophobicity(logP): 2.259

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: >95%; 95%; 95+%