Basic information
- CAS
1119-97-7- Standard SMILES
CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
CXRFDZFCGOPDTD-UHFFFAOYSA-M- Molecular formula
- C17H38N.Br
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 335.21876232
Overview
Cetrimide is an organic molecular entity.
Names & identifiers
- Preferred name
- Tetradecyltrimethylammonium bromide
- IUPAC
- trimethyl(tetradecyl)azanium bromide
- English name
- Tetradecyltrimethylammonium bromide
- Molecular formula
- C17H38N.Br
- Molecular weight
- 336.39
Names & synonyms
1119-97-7Tetradecyltrimethylammonium bromideTetradonium bromideTetradecyl Trimethyl Ammonium BromideMytabMorpan TQuaternium 13Tetradonio bromuroTetradonii bromidumTrimethyltetradecylammonium bromideBromuro de tetradonioBromure de tetradonium
Show more names
TTABMTABMyristyltrimethylammonium bromideCetrimide SolutionMYRTRIMONIUM BROMIDEtetradecyltrimethyl-ammoniubromideTetradecanaminium,N,N,N-trimethyl-,bromide1432
Trimethylmyristylammonium bromideAmmonium, trimethyltetradecyl-, bromideDTXSID0044367Sumquat 6110Myristyl trimethyl ammonium bromide8483H94W1EDTXCID8024367RHODAQUAT M-214C/99
Database identifiers
- CAS
1119-97-7- PubChem CID
- 14250
- DTXSID
DTXSID0044367
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 157
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Quaternary Amines
Cosmetics
Cosmetic ingredients (Myrtrimonium Bromide) -> CIR (Cosmetic Ingredient Review)
Preservative
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWhite solid; [Merck Index] Colorless hygroscopic crystals; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 245 · 245-250 °C(lit.)
- Density
- 1.1328 · 1.1328 (rough estimate)
- bulk density
- 600 kg/m3 · 600kg/m3
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 mg/ml · DMF: 2 mg/ml DMSO: 16 mg/ml Ethanol: 33 mg/ml PBS (pH 7.2): 5 mg/ml
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.4% (3 of 698) of reports.
Danger
H302 (25.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 698 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Tetradecanaminium, N,N,N-trimethyl-, bromide
Status: Active Update: 25-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10710
Tetradecyltrimethylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Hazards Summary
Causes somnolence and convulsions in intraperitoneal lethal-dose studies of mice; Causes somnolence and dyspnea in oral lethal-dose studies of rats; [RTECS] Corrosive; [Merck Index] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (25.4%)
Safety & protection
Protective Action Criteria (PAC)
1.2 [mg/m3]
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
Uses & manufacturing
Uses
CIR ingredient: Myrtrimonium Bromide
Used as a disinfectant, deodorant, and laboratory reagent; [Merck Index] Formerly registered in the US as a disinfectant and carpet cleaner for institutional, hospital, restaurant, and related applications; [NPIRS]
Using Disinfectants or Biocides [Category: Clean]
Use ClassificationCosmetics -> Preservative
General Manufacturing Information1-Tetradecanaminium, N,N,N-trimethyl-, bromide (1:1): ACTIVE
Applications
DescriptionMiTMAB (1119-97-7) is a dynamin I/II inhibitor targeting the dynamin-phospholipid interaction and inhibiting dynamin GTPase activity with a Ki=940nM.1 Rapidly and reversibly inhibits multiple forms of endocytosis with no acute cellular damage1. A useful pharmacological tool for studying dynamin-mediated trafficking events.2 Induces cytokinesis failure and apoptosis in human cancer cells.3 Induces cytoprotective autophagy in human Jurkat T cells.4
UsesDisinfectant; deodorant; laboratory reagent.
UsesMyristyltrimethylammonium has been used in a study to assess a surfactant-controlled synthetic method to obtain a nanophase of mesoporous ceria-zirconia solid solution containing cationic defects in the crystalline structure.It has also been used in a study to determine the low molecular weight of organic acids in soils and plants by capillary zone electrophoresis.
Related reactions
12 records
Compound notes
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