8-Ethyl-3,7-Dihydro-6-Methyl-5-Phenylpyrrolo[3,4-e]-1,4-Diazepin-2(1H)-One
[CAS# 57517-34-7]

Identification

• Name: 8-Ethyl-3,7-Dihydro-6-Methyl-5-Phenylpyrrolo[3,4-e]-1,4-Diazepin-2(1H)-One
• Synonyms: Pyrrolo(3,4-E)(1,4)Diazepin-2(1H)-One, 3,7-Dihydro-8-Ethyl-6-Methyl-5-Phenyl-; 3,7-Dihydro-8-Ethyl-6-Methyl-5-Phenylpyrrolo(3,4-E)(1,4)Diazepin-2(1H)-One; Brn 0618043
• Molecular Formula: C₁₆H₁₇N₃O
• Molecular Weight: 267.33
• CAS Registry Number: 57517-34-7
• SMILES: C3=C(C1=NCC(=O)NC2=C([NH]C(=C12)C)CC)C=CC=C3
• InChI: 1S/C16H17N3O/c1-3-12-16-14(10(2)18-12)15(17-9-13(20)19-16)11-7-5-4-6-8-11/h4-8,18H,3,9H2,1-2H3,(H,19,20)
• InChIKey: DUZPRDDPAAIXPI-UHFFFAOYSA-N

Properties

• Density: 1.247g/cm³ (Cal.)
• Boiling point: 476.168°C at 760 mmHg (Cal.)
• Flash point: 241.778°C (Cal.)