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| Name |
N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide |
EINECS | N/A |
| CAS No. | 54099-13-7 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H28N2O•C2H5I | Boiling Point | 417.2°Cat760mmHg |
| Molecular Weight | 420.43 | Flash Point | 206.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and I−. See also IODIDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide Chemical Properties
IUPAC Name: 2-(1-Adamantyl)-N-(2-dimethylaminoethyl)acetamide; iodoethane
Synonyms of N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide (CAS NO.54099-13-7): 1-Adamantaneacetamide, N-(2-(dimethylamino)ethyl)-, ethyl iodide
InChI: InChI=1/C16H28N2O.C2H5I/c1-18(2)4-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16;1-2-3/h12-14H,3-11H2,1-2H3,(H,17,19);2H2,1H3
InChIKey: PGOKHCGKMLHFFS-UHFFFAOYAL
Std. InChI: InChI=1S/C16H28N2O.C2H5I/c1-18(2)4-3-17-15(19)11-16-8-12-5-13(9-16)7-14(6-12)10-16;1-2-3/h12-14H,3-11H2,1-2H3,(H,17,19);2H2,1H3
Std. InChIKey: PGOKHCGKMLHFFS-UHFFFAOYSA-N
CAS NO: 54099-13-7
Molecular Formula: C18H33IN2O
Molecular Weight: 420.3719
Molecular Structure : .png)
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 23.55 Å2
Flash Point: 206.1 °C
Enthalpy of Vaporization: 67.05 kJ/mol
Boiling Point: 417.2 °C at 760 mmHg
Vapour Pressure: 3.61E-07 mmHg at 25°C
N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 75mg/kg (75mg/kg) | Farmaco, Edizione Scientifica. Vol. 32, Pg. 129, 1977. | |
| mouse | LD50 | oral | > 400mg/kg (400mg/kg) | Farmaco, Edizione Scientifica. Vol. 29, Pg. 820, 1974. |
N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When N-(2-(Dimethylamino)ethyl)-1-adamantaneacetamide ethyl iodide (CAS NO.54099-13-7) is heated to decomposition ,it emits very toxic fumes of NOx and I−. See also IODIDES.
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