2,5-Dimethyl-1-p-Tolyl-1H-Pyrrole
[CAS# 5044-26-8]

Identification

• Name: 2,5-Dimethyl-1-p-Tolyl-1H-Pyrrole
• Synonyms: 1-(2,5-Dimethylphenyl)-3-(2-Naphthyl)-4,5,6,7-Tetrahydro-2H-Pyrazolo[5,4-B]Azepine
• Molecular Formula: C₂₅H₂₅N₃
• Molecular Weight: 367.49
• CAS Registry Number: 5044-26-8
• SMILES: C4=C(C2=C1CCCCN=C1N(N2)C3=C(C=CC(=C3)C)C)C=CC5=CC=CC=C45
• InChI: 1S/C25H25N3/c1-17-10-11-18(2)23(15-17)28-25-22(9-5-6-14-26-25)24(27-28)21-13-12-19-7-3-4-8-20(19)16-21/h3-4,7-8,10-13,15-16,27H,5-6,9,14H2,1-2H3
• InChIKey: RWSDPVFZLZODDF-UHFFFAOYSA-N

Properties

• Density: 1.183g/cm³ (Cal.)
• Boiling point: 565.935°C at 760 mmHg (Cal.)
• Flash point: 296.067°C (Cal.)