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N-(2-ヒドロキシエチル)イミノ二酢酸
N-(2-ヒドロキシエチル)イミノ二酢酸 · ［（２ヒドロキシエチル）イミノ］二酢酸 · N,N-ビス(カルボキシメチル)エタノールアミン · (2-ヒドロキシエチル)イミノ二酢酸 · HIDA · HEIDA · usafdo-37 · USAF do-37
識別子と物理属性
| CAS No. | 93-62-9 |
|---|---|
| 分子式 | C6H11NO5 |
| 平均分子量 | 177.16 g/mol |
| 単同位体質量 | 177.06372245 g/mol |
| SMILES | O=C(O)CN(CCO)CC(=O)O |
| InChIKey | JYXGIOKAKDAARW-UHFFFAOYSA-N |
| PubChem CID | 7152 |
| ChEBI | CHEBI:143268 |
| EC No. | 202-263-9 |
| DTXSID | DTXSID4042177 |
| 現地名 | N-(2-ヒドロキシエチル)イミノ二酢酸 |
化学・物理的性質
| XLogP | -3.5 |
|---|---|
| 極性表面積 | 98.1 |
| 水素結合供与体数 | 3 |
| 水素結合受容体数 | 6 |
| 回転可能結合数 | 6 |
| 重原子数 | 12 |
| 形式電荷 | 0 |
| 複雑度 | 153 |
| Physical Description | White solid[Sigma-Aldrich MSDS] |
| 融点 | 178 °C (lit.) |
| 沸点 | 309.06°C (rough estimate) |
| 密度 | 1.4347 (rough estimate) |
| 蒸気圧 | 8.398hPa at 21.1℃ |
| 屈折率 | 1.4230 (estimate) |
| 貯蔵条件 | 2-8°C, protect from light |
| 溶解度 | 0.1 M NaOH: 50 mg/mL、透明18.61g/L at 25℃ |
| 外観・状態 | powder to crystal |
| pKa（酸解離定数） | pK1:2.2pK2:8.65 (25°C,μ=0.1) |
| 色 | White to Almost white |
| BRN | 1780628 |
| 主な用途 | ペプチド合成 |
| InChI | InChI=1S/C6H11NO5/c8-2-1-7(3-5(9)10)4-6(11)12/h8H,1-4H2,(H,9,10)(H,11,12) |
| InChIKey | JYXGIOKAKDAARW-UHFFFAOYSA-N |
| SMILES | C(O)(=O)CN(CC(O)=O)CCO |
| LogP（分配係数） | -1.17 at 25℃ |
| CAS データベース | 93-62-9(CAS DataBase Reference) |
| EPAの化学物質情報 | N-(2-Hydroxyethyl)iminodiacetic acid (93-62-9) |
化学的特性
WHITE FINE CRYSTALLINE POWDER
安全性と法規制
| GHS 分類 | DangerH302 (57.9%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (11.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H315 (23.2%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (64.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (23.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (22.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 190 reports by companies from 8 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: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258 |
| 有害性の概要 | Intraperitoneal LD50 (mouse) = 100 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Iminodiacetic acid, |
| Hazard Classes and Categories | Acute Tox. 4 (57.9%)Skin Corr. 1B (11.6%)Skin Irrit. 2 (23.2%)Eye Dam. 1 (64.7%)Eye Irrit. 2 (23.7%)STOT SE 3 (22.6%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | AI1925000 |
| 税関コード | 29252900 |
| 危険文句（R） | 36/37/38 |
| 化審法 | (2)-1282 |
| 危険表示 | Xi |
| 安全措置（S） | 26-36 |
| 危険等級 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 貯蔵分類 | 11 - Combustible Solids |
用途
使用
N-(2-Hydroxyethyl)iminodiacetic Acid (cas# 93-62-9) is a compound useful in organic synthesis.
一般的な説明
N-(2-Hydroxyethyl)iminodiacetic acid (HEIDA) is a biodegradable and strong metal chelating agent, similar to nitrilotriacetic acid (NTA).
製法・合成法
純化方法
Crystallise HIMDA from water. [Beilstein 4 IV 2432.]