Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]- InChIKey
PSLWZOIUBRXAQW-UHFFFAOYSA-M- Molecular formula
- C38H80BrN
- Average molar mass
- 631 g/mol
- Monoisotopic mass
- 629.54741366
Names & identifiers
- Preferred name
- Dimethyldioctadecylammonium bromide
- IUPAC
- dimethyl(dioctadecyl)azanium bromide
- English name
- Dimethyldioctadecylammonium bromide
- Molecular formula
- C38H80BrN
- Molecular weight
- 630.95
Names & synonyms
Show more names
Database identifiers
- CAS
3700-67-2- PubChem CID
- 77293
- DTXSID
DTXSID60884005- UNII
- Z5T47R065A
- EC Number
- 223-037-6
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 34
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 390
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 160 °C · ~160 °C
- Density
- 1.047 · 1.047
- refractive index
- 1.526 · 1.5260 (estimate)
- RTECS
- 185984 · RG0185984
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly, Heated), Hexanes (Slightly, Heated)
- form
- Granular Powder
- color
- White
- BRN
- 3580323 · 3580323
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C38H80N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1
- InChIKey
- PSLWZOIUBRXAQW-UHFFFAOYSA-M
- SMILES
- C(CCCCCCCCCCCCCCCCC)[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]
- CAS DataBase Reference
- 3700 · 3700-67-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 5 T47R065A · Z5T47R065A
- EPA Substance Registry System
- 1 · 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, bromide (3700-67-2)
- UNSPSC Code
- 12352211 · 12352211
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H319-H331-H336-H351-H361d-H372-H412
- Precautionary statements
- 201 · P201-P273-P301+P312+P330-P302+P352-P304+P340+P311-P308+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-43
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- HS Code
- 29211990 · 29211990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
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 59 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Toxicology
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29211990
- risk_code
- 36/37/38-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H331-H336-H351-H361d-H372-H412
- Precautionary statements
- P201-P273-P301+P312+P330-P302+P352-P304+P340+P311-P308+P313
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
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
Applications
Description18:0 DDAB is a double-chained quaternary ammonium surfactant with a bromide counter ion.
UsesDimethyldioctadecylammonium bromide has been used in a study to assess the interaction of its monolayers with DNA using specular neutron reflection, surface pressure-area isotherms, and Brewster angle microscopy. It has also been used in a study to investigate new adjuvants for use in kill vaccines for bovine viral diarrhea virus (BVDV).
General Description18:0 DDAB is cationic lipid and a quaternary ammonium salt. The hydrocarbon tails are saturated unlike the ionizable lipids.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Related reactions
No reaction records under the current filter.
Linked notes
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