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Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride

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Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride

EINECS N/A
CAS No. 103416-59-7 Density g/cm3
PSA 92.26000 LogP 0.36020
Solubility N/A Melting Point N/A
Formula C18H23 F N4 O4 Boiling Point 533.5°Cat760mmHg
Molecular Weight 382.91 Flash Point 276.5°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F, NOx, and HCl. Risk Codes N/A
Molecular Structure Molecular Structure of 103416-59-7 (Acetamide,2-[2-fluoro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy]-N-[2-(4-morpholinyl)ethyl]-) Hazard Symbols N/A
Synonyms

N/A

 

Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride Chemical Properties

Molecular Formula: C18H24ClFN4O2
Molecular Weight: 382.860163 g/mol
The Molecular Structure of Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride (CAS NO.103416-59-7):
IUPAC: diethyl-[2-[[4-(2-fluorobenzoyl)-2,5-dimethylpyrazol-3-yl]amino]-2-oxoethyl]azanium chloride
Classification: Mutation data;Tumor data
Nominal Mass: 382 Da
Average Mass: 382.8602 Da
Monoisotopic Mass: 382.157182 Da 
ACD/LogP: 1.56
ACD/LogD (pH 5.5): -0.9
ACD/LogD (pH 7.4): 0.8
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 29.5 
Polar Surface Area: 55.2 Å2 
Flash Point: 276.5 °C
Enthalpy of Vaporization: 80.95 kJ/mol
Boiling Point: 533.5 °C at 760 mmHg
Vapour Pressure: 1.84E-11 mmHg at 25°C 
InChI: InChI=1/C18H23FN4O2.ClH/c1-5-23(6-2)11-15(24)20-18-16(12(3)21-22(18)4)17(25)13-9-7-8-10-14(13)19;/h7-10H,5-6,11H2,1-4H3,(H,20,24);1H
Smiles: c1(c(n(C)nc1C)NC(C[NH+](CC)CC)=O)C(c1c(cccc1)F)=O.[ClH-]

Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride Toxicity Data With Reference

1.    

mma-sat 1 µmol/plate

    CRNGDP    Carcinogenesis. 7 (1986),2019.

Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F, NOx, and HCl.

Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride Specification

 Acetamide, 2-(diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-, monohydrochloride (CAS NO.103416-59-7) is also called as 2-(Diethylamino)-N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)acetamide hydrochloride ; 2-(Diethylamino)-N-(4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl)acetamide hydrochloride ; PD 109394 .
 

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