Basic information
- CAS
590-46-5- Standard SMILES
C[N+](C)(C)CC(=O)O.[Cl-]- InChIKey
HOPSCVCBEOCPJZ-UHFFFAOYSA-N- Molecular formula
- C5H12NO2.Cl
- Average molar mass
- 153.61 g/mol
- Monoisotopic mass
- 153.0556563
Overview
Betaine Hydrochloride is the hydrochloride form of betaine, a crystalline alkaloid occurring in sugar beets and other plants. Betaine, acting as a transmethylating metabolic intermediate, is the oxidation product of choline. Betaine hydrochloride is used as a gastric acidifier supplement.
Names & identifiers
- Preferred name
- Betaine chloride
- IUPAC
- carboxymethyl(trimethyl)azanium chloride
- English name
- Betaine hydrochloride
- Molecular formula
- C5H12ClNO2
- Molecular weight
- 153.61
Names & synonyms
Betaine hydrochloride590-46-5Betaine chlorideBetaine HClAchylinBetainum muriaticum(Carboxymethyl)trimethylammonium chlorideAcidol pepsinDTXSID0044446NSC-3976JK8U8K4D6KNSC-32191
Show more names
acidolhydrochlorideBETAIN HYDROCHLORIDEAcinormLYCINE HYDROCHLORIDEAchyinEuacidMuriatAcidin
Hydrochloride, BetaineNSC3976Betaine hydrochloride (USP)Betaine hydrochloride [USP]DTXCID8024446NSC32191RefChem:567997209-683-1
Database identifiers
- CAS
590-46-5- PubChem CID
- 11545
- DTXSID
DTXSID0044446- ChEMBL
CHEMBL1201130- UNII
- JK8U8K4D6K
- EC Number
- 209-683-1
Properties
Computed structural properties
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Experimental & physicochemical properties
Collision Cross Section122.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 241 · 241-242 °C(lit.)
- Density
- 1.29 · 1.29[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- FEMA
- 4223 · 4223 | BETAINE
- storage temp.
- room temp
- solubility
- 2 O: · H2O: 1 M at 20 °C, clear, colorless
- form
- Powder or Crystals
- color
- Colorless to white
- PH
- 1 · 1 (50g/l, H2O, 20℃)
- biological source
- synthetic (organic)
- Water Solubility
- 64.7 g/100 · 64.7 g/100 mL (25 ºC)
- Merck
- 14 · 14,1179
- BRN
- 3916181 · 3916181
- InChI
- 1S/C5H11NO2.ClH/c1-6(2,3)4-5(7)8;/h4H2,1-3H3;1H
- InChIKey
- HOPSCVCBEOCPJZ-UHFFFAOYSA-N
- SMILES
- [Cl-].C[N+](C)(C)CC(O)=O
- LogP
- -4.93 · -4.93
- CAS DataBase Reference
- 590 · 590-46-5(CAS DataBase Reference)
- FDA 21 CFR
- 310.545 · 310.545
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 U8K4D6K · JK8U8K4D6K
- ATC code
- 9 AB02 · A09AB02
- NIST Chemistry Reference
- Betaine hydrochloride(590-46-5)
- EPA Substance Registry System
- Betaine hydrochloride (590-46-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338+P310
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36-36/37/38-20/21/22
- Safety Statements
- 26 · 26-39-24/25-36
- WGK Germany
- 3 · 3
- RTECS
- 3136000 · BP3136000
- F
- 3 · 3-10
- Autoignition Temperature
- 400 °C · 400 °C
- TSCA
- TSCA listed
- HS Code
- 29239000 · 29239000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
- REACH Registrations
- Active
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 4.9% (8 of 164) of reports.
Danger
H318 (58.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, P305+P354+P338, P317, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Methanaminium, 1-carboxy-N,N,N-trimethyl-, chloride
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: Betaine hydrochloride (EC: 209-683-1)
Betain hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Dam. 1 (58.5%)
Safety data
- F
- 3-10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BP3136000
- hs_code
- 29239000
- risk_code
- 36-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,Xn
- safety_code
- 26-39-24/25-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H318
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1
- Autoignition Temperature
- 400 °C
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion.
Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues.
Uses & manufacturing
General Manufacturing InformationMethanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Applications
DescriptionBetaine hydrochloride is a vitamin-like substance that is a source of hydrochloric acid and aids the production of stomach acid. Gastric acid also helps protect the gastrointestinal tract from harmful bacteria. A normal level of gastric acid in the stomach—100,000-1,000,000 times more acidic than water—is sufficient to destroy bacteria, but some people produce deficient amounts of stomach acid, a condition that may lead to bacterial and parasitic infections of the intestines. One study showed that fasting people with normal gastric acid levels in the stomach had almost no bacteria in the small in- testine, while individuals with low levels of hydrochloric acid had some bacterial colonization in the stomach.Betaine hydrochloride is therefore recommended by some medical practitioners to sustain a healthy and normal production of stomach acid, especially to those that suffer from disorders such as allergies and asthma. Betaine hydrochloride is a synthesized chemical, and is not obtained from any plant or animal source. Gastric acid is produced by stomach cells, and is not available from any food source. Occasionally, betaine (C5H11NO2 )is recommended to reduce blood levels of homocysteine, which is associated with heart disease. This form of betaine is different from betaine hydrochlo- ride, and is available only with a doctor’s prescription.
Usesantiprotozoal, coccidiostat
UsesBetaine is used as gastric acidifier.naturopaths have long held that low stomach acid is a widespread problem that interferes with the digestion and absorption of nutrients. Betaine hydrochloride is one of the most common recommendations for this condi- tion. It helps make some minerals and other nutrients more absorbable, and may be especially helpful with nu- tritional supplements, which are often taken in tablets or capsules that may not be easily digested.
UsesBetaine hydrochloride can be used as antiarteriosclerotic, hypolipaemic, hepatoprotectant.
General DescriptionBetaine(trimethyl glycine) is an osmoprotectant, which is highly effective than proline. It is formed in fromcholine. Betaineis usually present in grains, spinach, beets,broccoli, shellfish and marine algae.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京绿百草科技发展有限公司010-61136123 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
张家港市思普生化有限公司512-0512-58992291,58992287 18606280718 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
成都锦然生物科技有限公司028-83311324 1278112614 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
成都瑞芬思德丹生物科技有限公司2355253622; 18981954830 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
杭州海尔希畜牧科技有限公司15988836457 13336065779 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…