5-Isopropyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid
[CAS# 849924-95-4]

Identification

• Name: 5-Isopropyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid
• Synonyms: 5,6-Dihydro-5-isopropyl-(4H)-pyrrolo[1,2-a](1,4)benzodiazepin-4-carboxylic acid (mixture of R and S forms); 5,6-Dihydro-5-isopropyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-4-carboxylic acid; 5-iso-Propyl-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]
• Molecular Formula: C₁₆H₁₈N₂O₂
• Molecular Weight: 270.33
• CAS Registry Number: 849924-95-4
• SMILES: O=C(O)C3c1cccn1c2c(cccc2)CN3C(C)C
• InChI: 1S/C16H18N2O2/c1-11(2)18-10-12-6-3-4-7-13(12)17-9-5-8-14(17)15(18)16(19)20/h3-9,11,15H,10H2,1-2H3,(H,19,20)
• InChIKey: QPMOGDACEZZUSZ-UHFFFAOYSA-N

Properties

• Density: 1.234g/cm³ (Cal.)
• Boiling point: 447.467°C at 760 mmHg (Cal.)
• Flash point: 224.42°C (Cal.)
• Refractive index: 1.629 (Cal.)