Celabenzine
[CAS# 53938-08-2]

Identification

• Name: Celabenzine
• Synonyms: (2S)-9-(Oxo-Phenylmethyl)-2-Phenyl-1,5,9-Triazacyclotridecan-4-One; (2S)-2-Phenyl-9-Phenylcarbonyl-1,5,9-Triazacyclotridecan-4-One; Celabenzine
• Molecular Formula: C₂₃H₂₉N₃O₂
• Molecular Weight: 379.50
• CAS Registry Number: 53938-08-2
• SMILES: [C@@H]1(NCCCCN(CCCNC(=O)C1)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
• InChI: 1S/C23H29N3O2/c27-22-18-21(19-10-3-1-4-11-19)24-14-7-8-16-26(17-9-15-25-22)23(28)20-12-5-2-6-13-20/h1-6,10-13,21,24H,7-9,14-18H2,(H,25,27)/t21-/m0/s1
• InChIKey: LSYKFBZWBDMZLQ-NRFANRHFSA-N

Properties

• Density: 1.08g/cm³ (Cal.)
• Boiling point: 620.06°C at 760 mmHg (Cal.)
• Flash point: 328.801°C (Cal.)