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Product Name: 2-Propen-1-one, 3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl-
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76691-18-4

76691-18-4 structure

76691-18-4 structure

Name: 2-Propen-1-one, 3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-1-(4-fluorophenyl)-2-methyl-
Chemical Name: (E)-3-(4-(3,4-dimethylphenyl)piperazin-1-yl)-1-(4-fluorophenyl)-2-methylprop-2-en-1-one
CAS Number: 76691-18-4
Molecular Formula: C₂₂H₂₅FN₂O
Molecular Weight: 352.44500
Create Date: 2017-04-15 01:00:32
Modify Date: 2025-10-01 19:21:35

Name	(E)-3-(4-(3,4-dimethylphenyl)piperazin-1-yl)-1-(4-fluorophenyl)-2-methylprop-2-en-1-one

Density	1.17g/cm3
Boiling Point	523ºC at 760 mmHg
Molecular Formula	C₂₂H₂₅FN₂O
Molecular Weight	352.44500
Flash Point	270.1ºC
Exact Mass	352.19500
PSA	23.55000
LogP	4.35410
Index of Refraction	1.613

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD5576500

CHEMICAL NAME :: 2-Propen-1-one, 3-(4-(3,4-dimethylphenyl)-1-piperazinyl)-1-(4-fluorop henyl)-2-methyl-

CAS REGISTRY NUMBER :: 76691-18-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H25-F-N2-O

MOLECULAR WEIGHT :: 352.49

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 800 mg/kg

TOXIC EFFECTS :: Biochemical - Metabolism (Intermediary) - effect on inflammation or mediation of inflammation

REFERENCE :: IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 19,695,1980

65201-51-6 structure

65201-51-6

1014-05-7 structure

1014-05-7

~%

76691-18-4 structure

76691-18-4

Literature: Pratap, Ram; Gupta, R. C.; Srimal, R. C.; Anand, Nitya Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1980 , vol. 19, # 8 p. 695 - 698

Precursor 2
65201-51-6 1014-05-7
DownStream 0

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