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| Name |
FC 590 |
EINECS | N/A |
| CAS No. | 2085-83-8 | Density | g/cm3 |
| PSA | 29.54000 | LogP | 5.09390 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H25 N O2 . Cl H | Boiling Point | 417°Cat760mmHg |
| Molecular Weight | 347.92 | Flash Point | 130.2°C |
| Transport Information | N/A | Appearance | N/A |
| 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. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Glycine,N,N-diethyl-2-phenyl-, 2,6-xylyl ester, hydrochloride (7CI,8CI) |
FC 590 Chemical Properties
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
FC 590 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. |
FC 590 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.
FC 590 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 .
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