3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE

Modify Date: 2025-12-13 17:31:58

3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE Structure
3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE structure
Common Name 3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
CAS Number 36646-75-0 Molecular Weight 221.68300
Density 1.295g/cm3 Boiling Point 353.5ºC at 760 mmHg
Molecular Formula C12H12ClNO Melting Point N/A
MSDS N/A Flash Point 167.6ºC

 Names

Name 3-(4-chloroanilino)cyclohex-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.295g/cm3
Boiling Point 353.5ºC at 760 mmHg
Molecular Formula C12H12ClNO
Molecular Weight 221.68300
Flash Point 167.6ºC
Exact Mass 221.06100
PSA 29.10000
LogP 3.46180
Index of Refraction 1.638
InChIKey RGPTVCHISMSLQC-UHFFFAOYSA-N
SMILES O=C1C=C(Nc2ccc(Cl)cc2)CCC1

 Synthetic Route

~99%

3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE Structure

3-((4-CHLOROPHE...

CAS#:36646-75-0

Literature: Kaupp, Gerd; Schmeyers, Jens; Boy, Juergen Advanced Synthesis and Catalysis, 2000 , vol. 342, # 3 p. 269 - 280

~85%

3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE Structure

3-((4-CHLOROPHE...

CAS#:36646-75-0

Literature: Zhuo, Jin-Cong Magnetic Resonance in Chemistry, 1997 , vol. 35, # 5 p. 311 - 322

 Bioassay

View more

Name: Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha at 10 uM incu...
Source: ChEMBL
Target: Cytochrome c oxidase subunit 2
External Id: CHEMBL4363120
Name: Inhibition of ovine COX1 assessed as reduction in PGF2alpha at 10 uM incubated for 2 ...
Source: ChEMBL
Target: Cytochrome c oxidase subunit 1
External Id: CHEMBL4363119
Name: Antiinflammatory activity in Wistar albino rat assessed as reduction in carrageenan-i...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL4363130
Name: Antiinflammatory activity in Wistar albino rat assessed as reduction in carrageenan-i...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL4363129
Name: Antiinflammatory activity in Wistar albino rat assessed as reduction in carrageenan-i...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL4363128
Name: Antiinflammatory activity in Wistar albino rat assessed as reduction in carrageenan-i...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL4363126
Name: Antiinflammatory activity in Wistar albino rat assessed as reduction in carrageenan-i...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL4363125
Name: Antiinflammatory activity in Wistar albino rat assessed as reduction in carrageenan-i...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL4363124
Name: Selectivity index, ratio of IC50 for inhibition of ovine COX1 to IC50 for inhibition ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4363123
Name: Antioxidant activity assessed as DPPH radical scavenging activity at 80 uM/ml incubat...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4363170
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 Synonyms

3-p-chloroanilino-cyclohex-2-en-1-one
3-(4-choloroaniline)-2-cyclohexen-1-one
3-(4-chlorophenylamino)-2-cyclohexen-1-one
3-((4-CHLOROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE
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