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Tetradecyl trimethyl ammonium bromide

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Name

Tetradecyl trimethyl ammonium bromide

EINECS 214-291-9
CAS No. 1119-97-7 Density 1.1328 (rough estimate)
PSA 0.00000 LogP 2.39770
Solubility 20 g/100 mL in water Melting Point 245-250 °C
Formula C17H38N.Br Boiling Point N/A
Molecular Weight 350.426 Flash Point N/A
Transport Information UN 3263 8/PG 2 Appearance white powder
Safety 26-36/37/39-45-27 Risk Codes 34
Molecular Structure Molecular Structure of 1119-97-7 (Cetrimide) Hazard Symbols CorrosiveC
Synonyms

Tetradonium bromide;1-Tetradecanaminium, N,N,N-trimethyl-, bromide;Myristyl trimethyl ammonium bromide;Myristyltrimethylammonium bromide;N,N,N-Trimethyl-1-tetradecanaminium bromide;Myrtrimonium bromide;Ammonium, trimethyltetradecyl-, bromide;Bromure de tetradonium;Quaternium 13;Trimethyltetradecylammonium bromide;

Article Data 8

Tetradecyl trimethyl ammonium bromide Consensus Reports

Reported in EPA TSCA Inventory.

Tetradecyl trimethyl ammonium bromide Specification

The IUPAC name of Tetradecyl trimethyl ammonium bromide is trimethyl(tetradecyl)azanium bromide. With the CAS registry number 1119-97-7, it is also named as Myristyl trimethyl ammonium bromide. The product's categories are Ammonium Bromides (Quaternary); Quaternary Ammonium Compounds, and the other registry number is 114568-24-0. Besides, it is white powder, which should be stored in tightly sealed containers in a cool, dry place. It is stable, hygroscopic, and incompatible with strong oxidizing agents. In addition, its molecular formula is C17H38N.Br and molecular weight is 336.40. This chemical is used as a surface active agent that is applied to shampoo, rubber, paint and other industries.

Physical properties about Tetradecyl trimethyl ammonium bromide are: (1)ACD/LogP: 1.536; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 8.66; (5)ACD/BCF (pH 7.4): 8.66; (6)ACD/KOC (pH 5.5): 163.20; (7)ACD/KOC (pH 7.4): 163.20; (8)#H bond acceptors:1; (9)#Freely Rotating Bonds: 13

When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, you should wear suitable protective clothing, gloves and eye/face protection. And please take off immediately all contaminated clothing. In case of accident or if you feel unwell, please seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: [Br-].C(CCCC[N+](C)(C)C)CCCCCCCCC
(2)InChI: InChI=1/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1
(3)InChIKey: CXRFDZFCGOPDTD-REWHXWOFAL

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 358mg/kg (358mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0537650,
mouse LD50 intravenous 12mg/kg (12mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rat LD50 intravenous 15mg/kg (15mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 47, Pg. 17, 1980.
rat LD50 oral 3900mg/kg (3900mg/kg) MUSCULOSKELETAL: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0543791,

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