5,10-Diacetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine
[CAS# 72031-20-0]

Identification

• Name: 5,10-Diacetyl-4a,5,11,11a-tetrahydro-10H-quinuclidino(2,3-c)-1,5-benzodiazepine
• Synonyms: 1,4-Ethano-1H-Pyrido(3,2-B)(1,5)Benzodiazepine, 2,3,4,4A,5,10,11,11A-Octahydro-5,10-Diacetyl-; 2,3,4,4A,5,10,11,11A-Octahydro-5,10-Diacetyl-1,4-Ethano-1H-Pyrido(3,2-B)(1,5)Benzodiazepine; 5,10-Diacetyl-4A,5,11,11A-Tetrahydro-10H-Quinuclidino(2,3-C)-1,5-Benzodiazepine
• Molecular Formula: C₁₈H₂₃N₃O₂
• Molecular Weight: 313.40
• CAS Registry Number: 72031-20-0
• SMILES: C1=CC=CC2=C1N(C3C(CN2C(=O)C)N4CCC3CC4)C(=O)C
• InChI: 1S/C18H23N3O2/c1-12(22)20-11-17-18(14-7-9-19(17)10-8-14)21(13(2)23)16-6-4-3-5-15(16)20/h3-6,14,17-18H,7-11H2,1-2H3
• InChIKey: PSMSESDSYNREIH-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 588.511°C at 760 mmHg (Cal.)
• Flash point: 286.432°C (Cal.)