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2-メチルアミノエタンスルホン酸
2-メチルアミノエタンスルホン酸 · N-メチルタウリン · Ｎメチルタウリン · 2-(メチルアミノ)エタンスルホン酸 · 2-(メチルアミノ)エタン-1-スルホン酸 · n-methyl · 2-(Methylamino)ethane-1-sulfonic acid · Taurine, methyl
識別子と物理属性
| CAS No. | 107-68-6 |
|---|---|
| 分子式 | C3H9NO3S |
| 平均分子量 | 139.18 g/mol |
| 単同位体質量 | 139.03031432 g/mol |
| SMILES | CNCCS(=O)(=O)O |
| InChIKey | SUZRRICLUFMAQD-UHFFFAOYSA-N |
| PubChem CID | 7882 |
| ChEMBL | CHEMBL3306207 |
| ChEBI | CHEBI:176462 |
| EC No. | 203-510-3 |
| DTXSID | DTXSID4025664 |
| 現地名 | 2-メチルアミノエタンスルホン酸 |
化学・物理的性質
| XLogP | -3.6 |
|---|---|
| 極性表面積 | 74.8 |
| 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 | 3 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 133 |
| 溶解度 | Soluble (>=10 mg/ml at 70 °F) (NTP, 1992) |
| 融点 | 466 to 468 °F (NTP, 1992)242°C |
| Physical Description | Yellowish-white powder. (NTP, 1992) |
| 密度 | 1.202 (estimate) |
| 屈折率 | 1.5130 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| pKa（酸解離定数） | 0.94±0.50(Predicted) |
| 外観・状態 | 個体 |
| 色 | White to off-white |
| InChI | InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7) |
| InChIKey | SUZRRICLUFMAQD-UHFFFAOYSA-N |
| SMILES | C(S(O)(=O)=O)CNC |
| CAS データベース | 107-68-6 |
| EPAの化学物質情報 | N-Methyltaurine (107-68-6) |
化学的特性
(Solution) Clear, light-colored liq-uid, approximately 34–36% sodium salt.
安全性と法規制
| GHS 分類 | DangerH314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (69.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 124 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Chemical: Ethanesulfonic acid, 2-(methylamino)-N-Methyltaurine: Does not have an individual approval but may be used under an appropriate group standard |
| 火災危険 | This compound is probably combustible. (NTP, 1992) |
| 反応性グループ | Amines, Phosphines, and PyridinesAcids, Weak |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Skin Corr. 1B (75%)Skin Irrit. 2 (25%)Eye Dam. 1 (69.4%) |
| 消火 | Fires involving this material can be controlled with a dry chemical, carabon dioxide, foam or Halon extinguisher. (NTP, 1992) |
| 応急処置 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. |
用途
用途
化粧品原料、有機合成原料。
使用
N-Methyltaurine can be used as a counter ion in the formation of soaps.
一般的な説明
Yellowish-white powder.