Product Name

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 :
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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