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| Name |
FC 457 |
EINECS | N/A |
| CAS No. | 2014-27-9 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H23NO2•ClH | Boiling Point | 325.9°Cat760mmHg |
| Molecular Weight | 285.85 | Flash Point | 105.2°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 |
N/A |
FC 457 Chemical Properties
Molecule structure of FC 457 (CAS NO.2014-27-9) :
IUPAC Name: [1-(2,6-dimethylphenoxy)-1-oxopropan-2-yl]-diethylazanium chloride
Molecular Weight: 285.80956 g/mol
Molecular Formula: C15H24ClNO2
Boiling Point: 325.9 °C at 760 mmHg
Flash Point: 105.2 °C
Enthalpy of Vaporization: 56.8 kJ/mol
Vapour Pressure: 0.000224 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Exact Mass: 285.149557
MonoIsotopic Mass: 285.149557
Topological Polar Surface Area: 30.7
Heavy Atom Count: 19
Complexity: 253
Canonical SMILES: CC[NH+](CC)C(C)C(=O)OC1=C(C=CC=C1C)C.[Cl-]
InChI: InChI=1S/C15H23NO2.ClH/c1-6-16(7-2)13(5)15(17)18-14-11(3)9-8-10-12(14)4;/h8-10,13H,6-7H2,1-5H3;1H
InChIKey of FC 457 (CAS NO.2014-27-9) : ZSBOXIZAKHAZLG-UHFFFAOYSA-N
FC 457 Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | subcutaneous | 1275mg/kg (1275mg/kg) | Bollettino Chimico Farmaceutico. Vol. 107, Pg. 310, 1968. |
FC 457 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 457 Specification
FC 457 (CAS NO.2014-27-9) is also called L-N,N-Diethylalanine 2,6-xylyl ester hydrochloride ; Alanine, N,N-diethyl-, 2,6-xylyl ester, L-, hydrochloride .
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