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35462-54-5

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Basic Information
CAS No.: 35462-54-5
Name: N,N-Dimethylanilinium iodide
Molecular Structure:
Molecular Structure of 35462-54-5 (N,N-Dimethylanilinium iodide)
Formula: C8H12IN
Molecular Weight: 249.094
Synonyms: Aniline, N,N-dimethyl-, hydriodide;N,N-Dimethylaniline hydriodide;Dimethyl-phenyl-azanium iodide;
Boiling Point: 193.5 °C at 760 mmHg
Flash Point: 62.8 °C
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Specification

The N,N-Dimethylanilinium iodide, with the CAS registry number 35462-54-5, is also known as Aniline, N,N-dimethyl-, hydriodide. This chemical's molecular formula is C8H12IN and molecular weight is 249.09. What's more, its IUPAC name is dimethyl(phenyl)azanium iodide. 

Physical properties of N,N-Dimethylanilinium iodide are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.33; (5)ACD/BCF (pH 5.5): 24.77; (6)ACD/BCF (pH 7.4): 34.41; (7)ACD/KOC (pH 5.5): 314.86; (8)ACD/KOC (pH 7.4): 437.47; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 62.8 °C; (13)Enthalpy of Vaporization: 42.97 kJ/mol; (14)Boiling Point: 193.5 °C at 760 mmHg; (15)Vapour Pressure: 0.462 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[NH+](C)C1=CC=CC=C1.[I-]
(2)InChI: InChI=1S/C8H11N.HI/c1-9(2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H
(3)InChIKey: KYTBWOMLGWBGOL-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02390.