1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone

CAS: 117796-52-8

Molecular Formula	`C21H21ClN2O`
Molecular Weight	352.9 g/mol
LogP	4.4
Topological Polar Surface Area	33.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	352.13425
Heavy Atoms	25
Complexity	536.0

Chemical Identifiers

CAS Number	117796-52-8
SMILES	`CC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1`
InChIKey	`FLTBEMVEAFMWDD-UHFFFAOYSA-N`

📖 Product Overview

1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone (CAS: 117796-52-8) is a chemical compound with molecular formula C21H21ClN2O and molecular weight 352.9 g/mol. Its IUPAC systematic name is 1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone. LogP 4.4 Topological Polar Surface Area 33.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 352.13425 Heavy Atoms 25 Complexity 536.0 InChI Key: FLTBEMVEAFMWDD-UHFFFAOYSA-N. SMILES: CC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 1-[4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]ethanone.

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