基本情報
- CAS
590-46-5- 標準SMILES
C[N+](C)(C)CC(=O)O.[Cl-]- InChIKey
HOPSCVCBEOCPJZ-UHFFFAOYSA-N- 分子式
- C5H12NO2.Cl
- 平均分子量
- 153.61 g/mol
- 単同位体質量
- 153.0556563
概要
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.
名称と識別子
- 優先名称
- Betaine chloride
- IUPAC
- carboxymethyl(trimethyl)azanium chloride
- 現地名
- ベタイン 塩酸塩
- 英語名
- Betaine hydrochloride
- 分子式
- C5H12ClNO2
- 分子量
- 153.61
名称と別名
Betaine hydrochloride590-46-5Betaine chlorideBetaine HClAchylinBetainum muriaticum(Carboxymethyl)trimethylammonium chlorideAcidol pepsinDTXSID0044446NSC-3976JK8U8K4D6KNSC-32191
名称をさらに表示
ベタイン 塩酸塩アシドール塩酸塩N,N-ジメチル-N-カルボキシラトメチルメタンアミニウム·塩酸塩(カルボキシラトメチル)トリメチルアミニウム·塩酸塩塩酸ベタインベタイン塩酸塩ベタイン·塩酸塩ベタイン塩酸塩(塩酸ベタイン)ベタイン, 塩酸塩, 結晶ベタイン, 塩酸塩, 結晶, 99%ベタイン塩酸塩, 99%acidolhydrochlorideBETAIN HYDROCHLORIDEAcinormLYCINE HYDROCHLORIDEAchyinEuacidMuriatAcidin
Hydrochloride, BetaineNSC3976Betaine hydrochloride (USP)Betaine hydrochloride [USP]DTXCID8024446NSC32191RefChem:567997209-683-1
データベース識別子
- CAS
物性
構造計算による物性
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 93.1
実験および物理化学的性質
Collision Cross Section122.5 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 241 · 241-242 °C(lit.)
- 比重(密度)
- 1.29 · 1.29[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- FEMA
- 4223 · 4223 | BETAINE
- 貯蔵温度
- room temp
- 溶解性
- 2 O: · H2O: 1M at20℃、透明、無色
- 外見
- 粉末または結晶
- 色
- 無色～白色
- PH
- 1 · 1 (50g/l, H2O, 20℃)
- 由来生物
- synthetic (organic)
- 水溶解度
- 64.7 g/100mL · 64.7g/100mL(25℃)
- 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
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
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%)
安全データ
- F
- 3-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BP3136000
- hs_code
- 29239000
- risk_code
- 36-36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 26-39-24/25-36
- 自然発火温度
- 400 °C
- Hazard Classifications
- Eye Dam. 1
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
用途と製造
General Manufacturing InformationMethanaminium, 1-carboxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE
応用分野
用途金の検出。表面活性剤、乳化剤、染料、防腐剤。
説明Betaine 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.
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