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2085-83-8

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Basic Information
CAS No.: 2085-83-8
Name: FC 590
Molecular Structure:
Molecular Structure of 2085-83-8 (FC 590)
Formula: C20H25 N O2 . Cl H
Molecular Weight: 347.92
Synonyms: Glycine,N,N-diethyl-2-phenyl-, 2,6-xylyl ester, hydrochloride (7CI,8CI)
Density: g/cm3
Boiling Point: 417°Cat760mmHg
Flash Point: 130.2°C
Safety: Moderately toxic by subcutaneous route. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.
PSA: 29.54000
LogP: 5.09390
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    FC 590

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  • [2-(2,6-dimethylphenoxy)-2-oxo-1-phenylethyl]-diethylazanium chloride

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    [2-(2,6-dimethylphenoxy)-2-oxo-1-phenylethyl]-diethylazanium chloride

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  • Benzeneacetic acid, a-(diethylamino)-,2,6-dimethylphenyl ester, hydrochloride (1:1)

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    Benzeneacetic acid, a-(diethylamino)-,2,6-dimethylphenyl ester, hydrochloride (1:1)

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Chemistry

Molecule structure of FC 590 (CAS NO.2085-83-8) :

IUPAC Name: [2-(2,6-dimethylphenoxy)-2-oxo-1-phenylethyl]-diethylazanium chloride 
Molecular Weight: 347.87894 g/mol
Molecular Formula: C20H26ClNO2 
Boiling Point: 417 °C at 760 mmHg
Flash Point: 130.2 °C
Enthalpy of Vaporization: 67.03 kJ/mol
Vapour Pressure: 3.67E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 7
Exact Mass: 347.165207
MonoIsotopic Mass: 347.165207
Topological Polar Surface Area: 30.7
Heavy Atom Count: 24
Complexity: 351
Canonical SMILES: CC[NH+](CC)C(C1=CC=CC=C1)C(=O)OC2=C(C=CC=C2C)C.[Cl-]
InChI: InChI=1S/C20H25NO2.ClH/c1-5-21(6-2)18(17-13-8-7-9-14-17)20(22)23-19-15(3)11-10-12-16(19)4;/h7-14,18H,5-6H2,1-4H3;1H
InChIKey of FC 590 (CAS NO.2085-83-8) : XLLNWRAHBKXRQE-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 1200mg/kg (1200mg/kg)   Bollettino Chimico Farmaceutico. Vol. 107, Pg. 310, 1968.

Safety Profile

Moderately toxic by subcutaneous route. A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx and HCl. See also ESTERS.

Specification

 FC 590 (CAS NO.2085-83-8) is also called N,N-Diethyl-2-phenyl-glycine 2,6-xylyl ester hydrochloride ; Glycine, N,N-diethyl-2-phenyl-, 2,6-xylyl ester, hydrochloride .