(2-Hydroxyethyl)iminodiacetic acid (HCID 7152)

名称と識別子

優先名称: (2-Hydroxyethyl)iminodiacetic acid
IUPAC: 2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
現地名: N-(2-ヒドロキシエチル)イミノ二酢酸
英語名: N-(2-Hydroxyethyl)iminodiacetic acid
分子式: C6H11NO5
分子量: 177.16

名称と別名

N-(2-Hydroxyethyl)iminodiacetic acid93-62-9Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-Ethanolamine-N,N-diacetic acid(2-Hydroxyethyl)iminodiacetic acid(Hydroxyethylimino)diacetic acid2-Hydroxyethylaminodiacetic acidHydroxyethylnitrilodiacetic acidN-(2-Hydroxyethyl)imidodiacetic acid2-Hydroxyethylamino diacetic acidBPQ4R5AF5KDTXSID4042177

名称をさらに表示

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HIDAusafdo-37USAF do-37ETHANOL DIGLYCINEIFLAB-BB F1019-00082,2'-((2-Hydroxyethyl)ethanolamine-n,n-diaceticacidn-2-hydroxyethyliminodiacetate

CHELEST EANSC-18474CHEBI:143268RefChem:825491N-2-HEIDAADTXCID2022177202-263-9Heida

データベース識別子

CAS: 93-62-9
PubChem CID: 7152
DTXSID: DTXSID4042177
ChEBI: CHEBI:143268
UNII: BPQ4R5AF5K
EC Number: 202-263-9
Nikkaji: J55.322K

物性

構造計算による物性

XLogP: -3.5
極性表面積: 98.1 Å²
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

実験および物理化学的性質

Physical DescriptionWhite solid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 178 °C · 178 °C (lit.)
沸点: 309.06 °C · 309.06°C (rough estimate)
比重(密度): 1.4347 · 1.4347 (rough estimate)
蒸気圧: 8.398 hPa · 8.398hPa at 21.1℃
屈折率: 1.423 · 1.4230 (estimate)
貯蔵温度: 2 · 2-8°C, protect from light
溶解性: 0.1 M · 0.1 M NaOH: 50 mg/mL、透明
外見: powder to crystal
酸解離定数(Pka): 1 · pK1:2.2;pK2:8.65 (25°C,μ=0.1)
色: White to Almost white
水溶解度: 18.61 g/L · 18.61g/L at 25℃
BRN: 1780628 · 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: -1.17 at · -1.17 at 25℃
CAS データベース: 93 · 93-62-9(CAS DataBase Reference)
EPAの化学物質情報: N-(2-Hydroxyethyl)iminodiacetic acid (93-62-9)

化学的性質

化学的特性WHITE FINE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (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 exposure; Respiratory 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.

危険有害性情報

Regulatory Information · 2 件

Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-

Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258

Hazards SummaryIntraperitoneal LD50 (mouse) = 100 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See Iminodiacetic acid,

Hazard Classes and CategoriesAcute 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%)

法規制情報

Regulatory Information · 2 件

Chemical: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-

Status: Active Update: 16-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22258

安全データ

wgk: 3
tsca: TSCA listed
rtecs: AI1925000
hs_code: 29252900
risk_code: 36/37/38
化審法: (2)-1282
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationGlycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-: ACTIVE

応用分野

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).

調製方法

純化方法Crystallise HIMDA from water. [Beilstein 4 IV 2432.]

上流・下流製品情報

上流原料

2-アミノエタノールカリウムヒドロキシド Hydroxyethylenimine diacetic acid 2-ブロモエタノールイミノ二酢酸

下流製品

N-(2-ヒドロキシエチル)グリシン

サプライヤー50 社

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N-(2-ヒドロキシエチル)イミノ二酢酸

基本情報