Betaine Hydrochloride structure
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Common Name | Betaine Hydrochloride | ||
|---|---|---|---|---|
| CAS Number | 590-46-5 | Molecular Weight | 153.607 | |
| Density | 1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C5H12ClNO2 | Melting Point | 241-242 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of Betaine HydrochlorideBetaine hydrochloride is a natural compound found in many foods and also an active methyl-donor which can maintain normal DNA methylation patterns. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Betaine hydrochloride |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Betaine hydrochloride is a natural compound found in many foods and also an active methyl-donor which can maintain normal DNA methylation patterns. |
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| Related Catalog | |
| In Vitro | It is found that proliferation of HeLa cells is inhibited significantly upon exposure to increasing Betaine hydrochloride levels with the MTT test (p<0.05). The percentage of S phase cells in the low dose groups (<5 mg/mL) are distinctly higher than in high dose groups, and the rates of Sub-G1 phase are the opposite (p<0.05). A high concentration of Betaine hydrochloride (>5.0 mg/mL) significantly promotes the apoptosis of HeLa cells (p<0.01). SOD activities of the low dose groups are slightly higher than the control group (p<0.05), and there are obvious synchronicity and correlation among the expression of promoting apoptosis genes Bax, P53, Caspase 3 and apoptosis suppression gene Bcl-2. In response to an apoptosis-inducing stimulus, p53 and cyclin D1 can be activated with blockage of the cell cycle at G1/S or S/G2 checkpoints[1]. |
| In Vivo | Liver-to-body weight ratio is attenuated by Betaine hydrochloride supplementation. When Betaine hydrochloride is added to the alcohol-containing liquid diet, both hepatic triglyceride (TG) accumulation and liver injury are significantly reduced. Betaine hydrochloride supplementation attenuates epididymal fat pad mass loss induced by chronic alcohol feeding. Betaine hydrochloride supplementation prevents the depletion of S-adenosylhomocysteine (SAM) and reduces the increase in S-adenosylhomocysteine (SAH), thereby improving the methylation state of the adipose tissue[2]. |
| Cell Assay | Cytotoxic effects of Betaine hydrochloride are evaluated by MTT assays. Briefly, 5×103 HeLa or MCF-10A cells/well are seeded in a 96-well plate and cultured overnight. Then, different concentrations of Betaine hydrochloride (from 0 to 100 mg/mL) are added to each well, and the MTT assay is performed at 24, 48, 72 and 96 h after incubation. Cu/Zn-SOD activities are detected using the superoxide dismutase Assay Kit according to the manufacturer’s instructions[1]. |
| Animal Admin | Male C57BL/6 mice weighing 25±0.5 g are used in this study. Animals are randomly assigned to four groups (n=6 to 8 per group) and pair-fed a modified Lieber-DeCarli alcohol (AF) or isocaloric maltose dextrin control liquid diet (PF) for 5 weeks with a stepwise feeding procedure. The ethanol content starts at 30% of total calories and gradually increases up to 36% in the last week. Betaine hydrochloride is administered as a supplement in the liquid diets (both PF and AF) at a concentration of 0.5% (w/v), simultaneously with the alcohol. All animals have access to diet and water ad libitum. At the end of the experiment, the mice are killed after being deprived of food for 4 h, and the plasma, liver and epididymal fat pad samples are harvested for assays[2]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1 g/cm3 |
|---|---|
| Melting Point | 241-242 °C(lit.) |
| Molecular Formula | C5H12ClNO2 |
| Molecular Weight | 153.607 |
| Exact Mass | 153.055649 |
| PSA | 37.30000 |
| InChIKey | HOPSCVCBEOCPJZ-UHFFFAOYSA-N |
| SMILES | C[N+](C)(C)CC(=O)O.[Cl-] |
| Water Solubility | 64.7 g/100 mL (25 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi, Xn |
| Risk Phrases | R36 |
| Safety Phrases | S26-S39-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | BP3136000 |
| HS Code | 2923900090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~%
Betaine Hydroch... CAS#:590-46-5 |
| Literature: US2006/9656 A1, ; Page/Page column 2-3 ; |
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~95%
Betaine Hydroch... CAS#:590-46-5 |
| Literature: Yamanaka, Hiroki; Yamashita, Seiji; Fukunishi, Koushi; Kuwabara, Masaki; Ishihara, Takashi; Nomura, Mototeru Journal of Fluorine Chemistry, 1991 , vol. 52, # 2 p. 185 - 194 |
|
~%
Betaine Hydroch... CAS#:590-46-5 |
| Literature: DE269751 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 11, p. 119 |
|
~19%
Betaine Hydroch... CAS#:590-46-5
Learn More
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| Literature: Journal of Fluorine Chemistry, , vol. 52, # 2 p. 185 - 194 |
|
~%
Betaine Hydroch... CAS#:590-46-5 |
| Literature: Journal of Fluorine Chemistry, , vol. 52, # 2 p. 185 - 194 |
|
~%
Betaine Hydroch... CAS#:590-46-5 |
| Literature: Journal of Fluorine Chemistry, , vol. 52, # 2 p. 185 - 194 |
|
~%
Betaine Hydroch... CAS#:590-46-5
Learn More
|
| Literature: Journal of Fluorine Chemistry, , vol. 52, # 2 p. 185 - 194 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
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| DownStream 4 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2923900090 |
|---|---|
| Summary | 2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Sulfur amino acid metabolism in Zucker diabetic fatty rats.
Biochem. Pharmacol. 96 , 256-66, (2015) The present study was aimed to investigate the metabolomics of sulfur amino acids in Zucker diabetic fatty (ZDF) rats, an obese type 2 diabetic animal model. Plasma levels of total cysteine, homocyste... |
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Developing structure-activity relationships for the prediction of hepatotoxicity.
Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ... |
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A predictive ligand-based Bayesian model for human drug-induced liver injury.
Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (Trimethylammonio)acetate hydrochloride |
| EINECS 209-683-1 |
| Acinorm |
| lycine hydrochloride |
| ACIDOL |
| Betaine Hydrochloride |
| Achylin |
| Betaine, hydrochloride |
| Pluchine |
| BET HCL |
| 1-carboxy-n,n,n-trimethylmethanaminium chloride |
| Acidin |
| Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1) |
| Euacid |
| MFCD00011903 |
| Achyin |
| Carboxy-N,N,N-trimethylmethanaminium chloride |
| betainium chloride |
| Acidine |
| Muriat |
| carboxymethyl-trimethyl-ammonium chloride |
| (Trimethylammonio)acetathydrochlorid |
| betaine chloride |
| betain hydrochloride |
| Betaine (hydrochloride) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of Betaine hydrochloride? |
| A: Water solubility of Betaine hydrochloride: 64.7 g/100 mL (25 ºC). |
| Q: What are the upstream materials of Betaine hydrochloride? |
| A: Related upstream materials(CAS) of Betaine hydrochloride: 79-11-8;75-50-3;616-34-2;128229-01-6. |
| Q: What is the English name of Betaine hydrochloride? |
| A: The English name of Betaine hydrochloride is Betaine hydrochloride. |
| Q: What is the molecular formula of Betaine hydrochloride? |
| A: Molecular formula of Betaine hydrochloride is C5H12ClNO2. |
| Q: What is the melting point of Betaine hydrochloride? |
| A: Melting point of Betaine hydrochloride is 241-242 °C(lit.). |
| Q: What is the InChIKey of Betaine hydrochloride? |
| A: InChIKey of Betaine hydrochloride is HOPSCVCBEOCPJZ-UHFFFAOYSA-N. |
| Q: What are the uses of Betaine hydrochloride? |
| A: Main uses of Betaine hydrochloride: Betaine hydrochloride is a natural compound found in many foods and also an active methyl-donor which can maintain normal DNA methylation patterns. |
| Q: What is the polar surface area (PSA) of Betaine hydrochloride? |
| A: Polar surface area (PSA) of Betaine hydrochloride is 37.30000. |
| Q: What is the safety information for Betaine hydrochloride? |
| A: Safety information for Betaine hydrochloride: S26-S39-S24/25. |
| Q: What is the CAS number of Betaine hydrochloride? |
| A: CAS number of Betaine hydrochloride is 590-46-5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |
| Henan Tianfu Chemical Co., Ltd. |
| Zhongshan Xingrui Chemical Co. , Ltd. |