3,7-Dihydro-6-Methyl-5-Phenyl-7-Propylpyrrolo[3,4-e]-1,4-Diazepin-2(1H)-One
[CAS# 57435-93-5]

Identification

• Name: 3,7-Dihydro-6-Methyl-5-Phenyl-7-Propylpyrrolo[3,4-e]-1,4-Diazepin-2(1H)-One
• Synonyms: Brn 0621457; Pyrrolo(3,4-E)(1,4)Diazepin-2(1H)-One, 3,7-Dihydro-6-Methyl-5-Phenyl-7-Propyl-; 3,7-Dihydro-6-Methyl-5-Phenyl-7-Propylpyrrolo(3,4-E)(1,4)Diazepin-2(1H)-One
• Molecular Formula: C₁₇H₁₉N₃O
• Molecular Weight: 281.36
• CAS Registry Number: 57435-93-5
• SMILES: C2=C1NC(=O)CN=C(C1=C([N]2CCC)C)C3=CC=CC=C3
• InChI: 1S/C17H19N3O/c1-3-9-20-11-14-16(12(20)2)17(18-10-15(21)19-14)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,19,21)
• InChIKey: XFVJGZGXAZOVRR-UHFFFAOYSA-N

Properties

• Density: 1.19g/cm³ (Cal.)
• Boiling point: 469.097°C at 760 mmHg (Cal.)
• Flash point: 237.501°C (Cal.)