5,6-Dihydro-1-(4-Methoxyphenyl)-4-Methyl-4H-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepine
[CAS# 54028-93-2]

Identification

• Name: 5,6-Dihydro-1-(4-Methoxyphenyl)-4-Methyl-4H-[1,2,4]Triazolo[4,3-a][1,5]Benzodiazepine
• Synonyms: 4H-S-Triazolo(4,3-A)(1,5)Benzodiazepine, 5,6-Dihydro-1-(P-Methoxyphenyl)-4-Methyl-; 5,6-Dihydro-1-(P-Methoxyphenyl)-4-Methyl-4H-S-Triazolo(4,3-A)(1,5)Benzodiazepine; Brn 1223664
• Molecular Formula: C₁₈H₁₈N₄O
• Molecular Weight: 306.37
• CAS Registry Number: 54028-93-2
• SMILES: C3=C2[N]1C(=NN=C1C(CNC2=CC=C3)C)C4=CC=C(OC)C=C4
• InChI: 1S/C18H18N4O/c1-12-11-19-15-5-3-4-6-16(15)22-17(12)20-21-18(22)13-7-9-14(23-2)10-8-13/h3-10,12,19H,11H2,1-2H3
• InChIKey: YVZJPBHLSGROGG-UHFFFAOYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 539.242°C at 760 mmHg (Cal.)
• Flash point: 279.924°C (Cal.)