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Celabenzine
[CAS# 53938-08-2]

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CAS#: 53938-08-2
Product: Celabenzine
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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 Structure CAS#: 53938-08-2, 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.)
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List of Reports Available for Celabenzine
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