The Molecular Structure of Allyltriethylammonium iodide (CAS NO.4186-64-5):
Molecular Formula: C9H20IN
Molecular Weight: 269.166270 g/mol
IUPAC: triethyl(prop-2-enyl)azanium iodide
Nominal Mass: 269 Da
Average Mass: 269.1663 Da
Monoisotopic Mass: 269.064035 Da
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -2.87
ACD/LogD (pH 7.4): -2.87
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
1. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#02830 . |
A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and I−.
Allyltriethylammonium iodide (CAS NO.4186-64-5) is also called as Ammonium, (allyltriethyl)-, iodide ; NSC 97342 ; 2-Propen-1-aminium, N,N,N-triethyl-, iodide (9CI) ; Ammonium, allyltriethyl-, iodide.
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