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betaine hydrochloride
methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, hydrochloride (1:1)

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Name:carboxymethyl(trimethyl)azanium chloride
CAS Number: 590-46-5Picture of molecule3D/inchi
Other(deleted CASRN):11042-13-0
ECHA EINECS - REACH Pre-Reg:209-683-1
FDA UNII: JK8U8K4D6K
Beilstein Number:3916181
MDL:MFCD00011903
Molecular Weight:153.60804000
Formula:C5 H12 Cl N O2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:special dietary and nutritional additives: for feed additives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 241.00 to 242.00 °C. @ 760.00 mm Hg
Flash Point: 32.00 °F. TCC ( 0.00 °C. ) (est)
logP (o/w): -3.254 (est)
Soluble in:
 water, 1e+006 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
AIDP
Betaine HCl 98%
American International Chemical, LLC.
BETAINE HYDROCHLORIDE USP
BOC Sciences
For experimental / research use only.
Betaine hydrochloride >98%
Charkit Chemical
BETAINE HCL USP
Glentham Life Sciences
Betaine hydrochloride
Penta International
BETAINE HCL USP
Penta International
BETAINE HCL
Qingdao Dacon Trading
Betaine Hydrochloride
Santa Cruz Biotechnology
For experimental / research use only.
Betaine Hydrochloride ≥98%
Sigma-Aldrich: Sigma
For experimental / research use only.
Betaine Hydrochloride BioUltra, ≥99%
sds
TCI AMERICA
For experimental / research use only.
Betaine Hydrochloride >98.0%(T)
sds
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
subcutaneous-mouse LD50 8000 mg/kg
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: FLUID INTAKE
Acta Biologica et Medica Germanica. Vol. 3, Pg. 28, 1959.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
special dietary and nutritional additives: for feed additives
Recommendation for betaine hydrochloride usage levels up to:
 not for fragrance use.
 
Recommendation for betaine hydrochloride flavor usage levels up to:
 not for flavor use.
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on the safety and efficacy of betaine (betaine anhydrous and betaine hydrochloride) as a feed additive for all animal species based on a dossier submitted by VITAC EEIG
View page or View pdf

EPI System: View
ClinicalTrials.gov:search
Daily Med:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):590-46-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11545
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
carboxymethyl(trimethyl)azanium chloride
Chemidplus:0000590465
RTECS:BP3136000 for cas# 590-46-5
 
References:
 carboxymethyl(trimethyl)azanium chloride
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:590-46-5
Pubchem (cid):11545
Pubchem (sid):134976908
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
KEGG (GenomeNet):D03103
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2923.90.0000
FDA Listing of Food Additive Status:View
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 betaine chloride
 betaine, hydrochloride
 betainehydrochloride
 carboxy-N,N,N-trimethylmethanaminium chloride
1-carboxy-N,N,N-trimethylmethanaminium chloride
1-carboxy-N,N,N-trimethylmethanaminium, chloride
 carboxymethyl-trimethylazanium chloride
 carboxymethyl(trimethyl)azanium chloride
(carboxymethyl)(trimethyl)ammonium chloride
(carboxymethyl)trimethylammonium chloride
(carboxymethyl)trimethylammonium hydrochloride
 glycine betaine hydrochloride
 glycocollbetaine hydrochloride
 lycine hydrochloride
 methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1)
 methanaminium, 1-carboxy-N,N,N-trimethyl-, inner salt, hydrochloride (1:1)
2-(trimethylamino)acetic acid, chloride
(trimethylammonio)acetate hydrochloride
(trimethylammonio)acetate hydrochloride (1:1)
 

Articles:

PubMed:The use of betaine HCl to enhance dasatinib absorption in healthy volunteers with rabeprazole-induced hypochlorhydria.
PubMed:Factor defining the effects of glycine betaine on the thermodynamic stability and internal dynamics of horse cytochrome C.
PubMed:Molecular association of betaine and betaine hydrochloride in aqueous solutions--a study by Raman spectroscopy.
PubMed:Potentiometric batch and flow injection analysis of betaine hydrochloride.
PubMed:[Effect of betaine hydrochloride on broiler chickens when used alone or in combination with vitamin B12].
PubMed:Chemical investigation of Pluchea lanceolata. II. Identity of pluchine with betaine hydrochloride.
PubMed:[The sedative, antipyretic and analgesic effects of betaine hydrochloride].
PubMed:Solid state structure and chemistry of the choline halides and their analogues. Redetermination of the betaine hydrochloride structure, ((CH3)3NCH2COOH)+Cl-.
PubMed:Comprehensive solid-state NMR analysis reveals the effects of N-methylation on the molecular dynamics of glycine.
PubMed:Pharmacological identification of a guanidine-containing β-alanine analogue with low micromolar potency and selectivity for the betaine/GABA transporter 1 (BGT1).
PubMed:Novel pH-sensitive micelles generated by star-shape copolymers containing zwitterionic sulfobetaine for efficient cellular internalization.
PubMed:Distribution of 14C-labelled acrylamide and betaine in foetuses of rats, rabbits, beagle dogs and miniature pigs.
PubMed:Ultrahigh-performance liquid chromatography/tandem mass spectrometry method for evaluating enzyme activity and screening inhibitors of cyclooxygenase-2.
PubMed:Investigation of the skin sensitizing properties of 5 osmolytic prodrugs in a weight-of-evidence assessment, employing in silico, in vivo, and read across analyses.
PubMed:Absorption of water and solute from glucose-electrolyte solutions in the human jejunum: effect of citrate or betaine.
PubMed:Cloning, expression, and characterization of coenzyme-B12-dependent diol dehydratase from Lactobacillus diolivorans.
PubMed:[Effects of plasma Hcy on the contents of CO and HO-2 in the corpus cavernosum of ED rats with hyperhomocysteinemia].
PubMed:Studies on dodecyl betainate in combination with its degradation products or with phosphatidyl choline-phase behavior and hemolytic activity.
PubMed:Comparative cryopreservation of avian spermatozoa: benefits of non-permeating osmoprotectants and ATP on turkey and crane sperm cryosurvival.
PubMed:Influence of osmolytes on inactivation and aggregation of muscle glycogen phosphorylase b by guanidine hydrochloride. Stimulation of protein aggregation under crowding conditions.
PubMed:Structure-based analysis reveals hydration changes induced by arginine hydrochloride.
PubMed:Synthesis of 1-octadecyl 5-betainylamino-5-deoxy-beta-D-fructopyranoside hydrochloride as a new long-chain cationic sugar-based surfactant.
PubMed:[Chemical constituents in the roots of Lycium chinense Mill].
PubMed:Concomitant osmotic and chaotropicity-induced stresses in Aspergillus wentii: compatible solutes determine the biotic window.
PubMed:New antiinfectious biomaterials. Ciprofloxacin containing polyurethanes as potential drug delivery systems to prevent foreign-body infections.
PubMed:Enhanced blood compatibility of polyurethane functionalized with sulfobetaine.
PubMed:Effect of molecular crowding on the enzymes of glycogenolysis.
PubMed:Ungeremine and Its hemisynthesized analogues as bactericides against Flavobacterium columnare.
PubMed:Transport of L-carnitine in isolated cerebral cortex neurons.
PubMed:Studies of the potential role of a semisynthetic surfactant preparation in an experimental aspiration trauma in rabbits.
PubMed:Experimental aspiration trauma: comparison of steroid treatment versus exogenous natural surfactant.
PubMed:Influence of osmolytes and denaturants on the structure and enzyme activity of alpha-chymotrypsin.
PubMed:Suppression of protein interactions by arginine: a proposed mechanism of the arginine effects.
PubMed:Periocular dermatitis: a report of 401 patients.
PubMed:Thermodynamic characterization of the osmolyte effect on protein stability and the effect of GdnHCl on the protein denatured state.
PubMed:Responses of single taste fibers and whole chorda tympani and glossopharyngeal nerve in the domestic pig, Sus scrofa.
PubMed:[Pharmacologic influencing of fetal phospholipide synthesis. Part II: Carnitin - a new way of dyspnea syndrome prophylaxis? (author's transl)].
PubMed:Procarbazine carcinogenicity in methotrexate-treated or lipotrope-deficient male rats.
 
Notes:
a naturally occurring compound that has been of interest for its role in osmoregulation. as a drug, betaine hydrochloride has been used as a source of hydrochloric acid in the treatment of hypochlorhydria. betaine has also been used in the treatment of liver disorders, for hyperkalemia, for homocystinuria, and for gastrointestinal disturbances. (from martindale, the extra pharmacopoeia, 30th ed, p1341)
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