Decyltrimethylammonium bromide
Basic information
- CAS
2082-84-0- Standard SMILES
CCCCCCCCCC[N+](C)(C)C.[Br-]- InChIKey
PLMFYJJFUUUCRZ-UHFFFAOYSA-M- Molecular formula
- C13H30BrN
- Average molar mass
- 280.29 g/mol
- Monoisotopic mass
- 279.15616
Overview
Decyltrimethylammonium bromide is a quarternary ammonium salt whose basic unit comprises a decyltrimethylammonium cation and a bromide anion. It has a role as a surfactant. It is a bromide salt and a quaternary ammonium salt. It contains a decyltrimethylammonium ion.
Names & identifiers
- Preferred name
- Decyltrimethylammonium bromide
- IUPAC
- decyl(trimethyl)azanium bromide
- English name
- Decyltrimethylammonium bromide
- Molecular formula
- C13H30BrN
- Molecular weight
- 280.29
Names & synonyms
Decyltrimethylammonium bromide2082-84-0N,N,N-trimethyldecan-1-aminium bromiden-Decyltrimethylammonium bromideTrimethyldecylammonium bromideN,N,N-Trimethyl-1-decanaminium bromide1-Decanaminium, N,N,N-trimethyl-, bromide (1:1)N,N,N-Trimethyldecylammonium bromide1-Decanaminium, N,N,N-trimethyl-, bromideAmmonium, decyltrimethyl-, bromideAI3-61499NSC-9951
Show more names
103B[M3C10N]Brdecyl(trimethyl)azaniumN-DecyltrimethylammoniumTrimethyldecylammoniumbromiDecyltriMethylaMMoniuM broMidTrimethyldecylaminium·bromideDecyltrimethylaminium·bromidedecyltrimethyl-ammoniubromideEcyltrimethylammonium Bromide
HE2Q73PXL4CHEBI:295756DTXSID80883792RefChem:131397DTXCID401023279218-219-7decyl(trimethyl)azanium;bromideMFCD00041973
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 243 °C · 243 °C
- Density
- 1.1819 · 1.1819 (rough estimate)
- refractive index
- 1.526 · 1.5260 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Chunks and Powder
- color
- White to beige
- Water Solubility
- Soluble in water.
- Sensitive
- Hygroscopic
- BRN
- 3915222 · 3915222
- InChI
- 1S/C13H30N.BrH/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;/h5-13H2,1-4H3;1H/q+1;/p-1
- InChIKey
- PLMFYJJFUUUCRZ-UHFFFAOYSA-M
- SMILES
- [Br-].CCCCCCCCCC[N+](C)(C)C
- CAS DataBase Reference
- 2082 · 2082-84-0(CAS DataBase Reference)
- FDA UNII
- 2 Q73PXL4 · HE2Q73PXL4
- EPA Substance Registry System
- Trimethyldecylammonium bromide (2082-84-0)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BP6352000
- hs_code
- 29239000
- Toxicity
- LD50 intravenous in mouse: 2800ug/kg
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
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
General Manufacturing Information1-Decanaminium, N,N,N-trimethyl-, bromide (1:1): INACTIVE
Applications
Uses(1-Decyl)trimethylammonium bromide is used in high performance liquid chromatography and in nuclear magnetic resonance. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A quarternary ammonium salt whose basic unit comprises a decyltrimethylammonium cation and a bromide anion.
Suppliers
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Compound notes
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