(9aS)-Hexahydro-1H-Pyrrolo[2,1-d][1,2,5]Triazepine-1,5(2H)-Dione
[CAS# 175853-35-7]

Identification

• Name: (9aS)-Hexahydro-1H-Pyrrolo[2,1-d][1,2,5]Triazepine-1,5(2H)-Dione
• Synonyms: (S)-hexahydro-1H-pyrrolo[2,1-d][1,2,5]triazepine-1,5(2H)-dione
• Molecular Formula: C₇H₁₁N₃O₂
• Molecular Weight: 169.18
• CAS Registry Number: 175853-35-7
• SMILES: C1C[C@H]2C(=O)NNCC(=O)N2C1
• InChI: 1S/C7H11N3O2/c11-6-4-8-9-7(12)5-2-1-3-10(5)6/h5,8H,1-4H2,(H,9,12)/t5-/m0/s1
• InChIKey: FLYULXUFFBRLDA-YFKPBYRVSA-N

Properties

• Density: 1.363g/cm³ (Cal.)
• Boiling point: 334.45°C at 760 mmHg (Cal.)
• Flash point: 156.07°C (Cal.)
• Refractive index: 1.588 (Cal.)