Basic information
- CAS
78-73-9- Standard SMILES
C[N+](C)(C)CCO.O=C([O-])O- InChIKey
DQKGOGJIOHUEGK-UHFFFAOYSA-M- Molecular formula
- C5H14NO.CHO3
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.10010796
Overview
See also: Bicarbonate Ion (has active moiety).
Names & identifiers
- Preferred name
- Choline bicarbonate
- IUPAC
- hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
- English name
- Choline bicarbonate
- Molecular formula
- C6H15NO4
- Molecular weight
- 165.19
Names & synonyms
CHOLINE BICARBONATE78-73-9Choline carbonate (1:1)Choline, hydrogen carbonateUNII-V23DAH2UHH(2-Hydroxyethyl)trimethylammonium bicarbonateV23DAH2UHHHydroxyethyltrimethylammonium bicarbonateEINECS 201-137-0NSC 163321Choline, carbonate (1:1) (salt)EC 201-137-0
Show more names
DK910CHOLINE BICARBONATE SALTCHOLINE HYDROGEN CARBONATEcholine bicarbonate solutionCHOLINEBICARBONATE,75%SOLUTIONCholine bicarbonate-13C solution2-Methyl-28-nitrobenzyl&chlorideCholine bicarbonate~80% in waterCHOLINE BICARBONATE APPROX. 80% AQUE
NSC-163321DTXSID9051246Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1) (salt)Choline, carbonate (1:1) (salt) (8CI)RefChem:125747DTXCID8029868(2Hydroxyethyl)trimethylammonium bicarbonate2HydroxyN,N,Ntrimethylethanaminium hydrogen carbonate
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 71.3
Experimental & physicochemical properties
Chemical ClassesBiological Agents -> Vitamins and Derivatives
Physical DescriptionSolid; [ECHA REACH Registrations]
Physicochemical properties
- Density
- 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
- vapor pressure
- 23.904 hPa · 23.904hPa at 25℃
- refractive index
- 20 · n20/D 1.45
- storage temp.
- 2 · 2-8°C
- solubility
- Methanol (Sparingly), Water (Soluble)
- form
- Colourless Solution
- Viscosity
- 44.03 mm2/s · 44.03mm2/s
- Water Solubility
- 750 g/L · 750g/L at 20℃
- InChI
- InChI=1S/C5H14NO.CH2O3/c1-6(2,3)4-5-7;2-1(3)4/h7H,4-5H2,1-3H3;(H2,2,3,4)/q+1;/p-1
- InChIKey
- DQKGOGJIOHUEGK-UHFFFAOYSA-M
- SMILES
- C(CO)[N+](C)(C)C.C(O)([O-])=O
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
This chemical does not meet GHS hazard criteria for 62% (111 of 179) of all reports.
Warning
H315 (37.4%): 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 179 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1) (salt)
Status: Active Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11430
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummaryOnly available commercially as an aqueous solution (usually 75%); [ECHA REACH Registrations] 80% aqueous solution: An irritant; [Sigma-Aldrich MSDS] See Choline.
Hazard Classes and CategoriesSkin Irrit. 2 (37.4%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
Uses
Used to formulate metal surface treatment products (including those for galvanizing and electroplating), non-metal surface treatment products, hydraulic fluids, processing aids (i.e. pH regulators, flocculants, and precipitants), laboratory chemicals, plant protection products, pharmaceuticals, flux coating/core welding and soldering products, and as a clay stabilizer for fracturing in the mining industry; [ECHA REACH Registrations]
Mining [Category: Industry]
General Manufacturing InformationEthanaminium, 2-hydroxy-N,N,N-trimethyl-, carbonate (1:1): ACTIVE
Applications
UsesCholine, a water soluble essential nutrient, is used by the body to make phosphatidylcholine phosphatides and neurotransmitter such as acetylcholine. Choline is used to study a wide range of biological processes from stem cell development to neurological disease studies. Also, An alkaline intermediate useful for preparing salts.
UsesCholine Bicarbonate is compound is used for protein delivery, Alkaline catalyst, intermediate for choline salts and surfactants.
Upstream & downstream products
Upstream raw materials
Suppliers87 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Related reactions
6 records
Compound notes
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