基本情報
- CAS
78-73-9- 標準SMILES
C[N+](C)(C)CCO.O=C([O-])O- InChIKey
DQKGOGJIOHUEGK-UHFFFAOYSA-M- 分子式
- C5H14NO.CHO3
- 平均分子量
- 165.19 g/mol
- 単同位体質量
- 165.10010796
概要
See also: Bicarbonate Ion (has active moiety).
名称と識別子
- 優先名称
- Choline bicarbonate
- IUPAC
- hydrogen carbonate;2-hydroxyethyl(trimethyl)azanium
- 現地名
- 2-ヒドロキシ-N,N,N-トリメチルエタンアミニウム·炭酸水素アニオン
- 英語名
- Choline bicarbonate
- 分子式
- C6H15NO4
- 分子量
- 165.19
名称と別名
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
名称をさらに表示
2-ヒドロキシ-N,N,N-トリメチルエタンアミニウム·炭酸水素アニオンコリンビカルボナート重炭酸コリン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
物性
構造計算による物性
- 極性表面積
- 80.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 71.3
実験および物理化学的性質
Chemical ClassesBiological Agents -> Vitamins and Derivatives
Physical DescriptionSolid; [ECHA REACH Registrations]
物理化学的性質
- 比重(密度)
- 1.17 g/mL · 1.17 g/mL at 25 °C (lit.)
- 蒸気圧
- 23.904 hPa · 23.904hPa at 25℃
- 屈折率
- 20 · n20/D 1.45
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Methanol (Sparingly), Water (Soluble)
- 外見
- Colourless Solution
- 水溶解度
- 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
- CAS データベース
- 78 · 78-73-9(CAS DataBase Reference)
- EPAの化学物質情報
- Choline carbonate (1:1) (78-73-9)
化学的性質
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 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.
危険有害性情報
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%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
化学と産業
用途と製造
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
応用分野
使用Choline Bicarbonate is compound is used for protein delivery, Alkaline catalyst, intermediate for choline salts and surfactants.
上流・下流製品情報
上流原料
サプライヤー87 社
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]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]
関連反応
6 件
化合物ノート
読み込み中…