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N,N-Dimethylanilinium iodide

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Name

N,N-Dimethylanilinium iodide

EINECS N/A
CAS No. 35462-54-5 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C8H12IN Boiling Point 193.5 °C at 760 mmHg
Molecular Weight 249.094 Flash Point 62.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 35462-54-5 (N,N-Dimethylanilinium iodide) Hazard Symbols N/A
Synonyms

Aniline, N,N-dimethyl-, hydriodide;N,N-Dimethylaniline hydriodide;Dimethyl-phenyl-azanium iodide;

 

N,N-Dimethylanilinium iodide 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.

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