4-{8-methylimidazo[1,2-a]pyridin-2-yl}aniline

• ChemBase ID: 31344
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: n1c2n(cc1c1ccc(N)cc1)cccc2C
• Canonical SMILES: Nc1ccc(cc1)c1cn2c(n1)c(C)ccc2
• InChI: InChI=1S/C14H13N3/c1-10-3-2-8-17-9-13(16-14(10)17)11-4-6-12(15)7-5-11/h2-9H,15H2,1H3
• InChIKey: GWBJQNMMOJBUIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{8-methylimidazo[1,2-a]pyridin-2-yl}aniline
• IUPAC Traditional name: 4-{8-methylimidazo[1,2-a]pyridin-2-yl}aniline
• Synonyms: 2-(4-Aminophenyl)-8-methylimidazo[1,2-a]pyridine; 4-(8-Methylimidazo[1,2-a]pyrid-2-yl)aniline; 4-(8-Methylimidazo[1,2-a]pyridin-2-yl)aniline

Database IDs

• CAS Number: 365565-88-4
• MDL Number: MFCD04971851
• PubChem SID: 160994651
• PubChem CID: 2771077

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9510555
• LogD (pH = 7.4): 2.4636564
• Log P: 2.4771206
• Molar Refractivity: 70.4422 cm^3
• Polarizability: 27.20782 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163 °C; 161 - 163°C
• Hydrophobicity(logP): 2.758

Safety Information

• Storage Warning: 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%