基本情報
- CAS
5657-17-0- 標準SMILES
O=C(O)CNCCNCC(=O)O- InChIKey
IFQUWYZCAGRUJN-UHFFFAOYSA-N- 分子式
- C6H12N2O4
- 平均分子量
- 176.17 g/mol
- 単同位体質量
- 176.07970686
概要
Ethylenediaminediacetic acid is an ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups. It has a role as a chelator and a bacterial xenobiotic metabolite. It is a glycine derivative, an ethylenediamine derivative, an amino dicarboxylic acid and a polyamino carboxylic acid. It is a conjugate acid of an ethylenediaminediacetate(1-).
名称と識別子
- 優先名称
- Ethylenediaminediacetic acid
- IUPAC
- 2-[2-(carboxymethylamino)ethylamino]acetic acid
- 現地名
- エチレンジアミン-N,N'-二酢酸
- 英語名
- Ethylenediamine-N,N'-diacetic acid
- 分子式
- C6H12N2O4
- 分子量
- 176.17
名称と別名
5657-17-0Ethylenediamine-N,N'-diacetic acidEDDAEthylenediaminediacetic acidGlycine, N,N'-1,2-ethanediylbis-Ethylenediamine-N,N'-di(acetic acid)N,N'-Ethylenediaminediacetic Acid4LX0U5342UDTXSID7063970CHEBI:132240EDDA-ZnRefChem:596730
名称をさらに表示
エチレンジアミン-N,N'-二酢酸2-アミノエチルイミノビス酢酸N-(カルボキシメチル)-N-(2-アミノエチル)グリシンエチレンビスイミノビス酢酸エチレンジイミノ二酢酸N,N'-エチレンビス(グリシン)エチレンジアミンジアセタートエチレンジアミン-N,N-二酢酸エチレン-N,N'-ジグリシン(2-アミノエチルイミノ)二酢酸(エチレンビスイミノ)二酢酸エチレンビスイミノ二酢酸N,N'-(1,2-エタンジイル)ビス(グリシン)N,N'-エチレンビスグリシンN,N'-エチレンジグリシンN,N'-ビス(カルボキシメチル)-1,2-エタンジアミン(エチレンビスイミノ)ビス酢酸2,2'-(エチレンビスイミノ)二酢酸エチレンジアミン-N,N′-二酢酸ETHYLENE-N,N'-DIGLYCINEEthylenediiminodiacetic acidn,n’-1,2-ethanediylbis-glycin
物性
構造計算による物性
- XLogP
- -6
- 極性表面積
- 98.7 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 142
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
Physical Description
Dry Powder
White powder; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 224 °C · 224 °C (dec.)(lit.)
- 沸点
- 307.77 °C · 307.77°C (rough estimate)
- 比重(密度)
- 1.36 · 1.3600 (rough estimate)
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- 屈折率
- 1.4431 · 1.4431 (estimate)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- Aqueous Base (Slightly), Water (Slightly)
- 酸解離定数(Pka)
- 1 · pK1:6.42;pK2:9.46 (25°C)
- 外見
- Powder
- 色
- White to Almost white
- 水溶解度
- ぬるま湯に溶ける。
- BRN
- 1778355 · 1778355
- InChI
- 1S/C6H12N2O4/c9-5(10)3-7-1-2-8-4-6(11)12/h7-8H,1-4H2,(H,9,10)(H,11,12)
- InChIKey
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
Danger
H302 (72.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Glycine, N,N'-1,2-ethanediylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N,N'-1,2-ethanediylbis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 30-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/20274
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (72.6%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2922.49.8000
- risk_code
- 36/37/38
- 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
薬理情報
MeSH Pharmacological ClassificationChemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS.
用途と製造
U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesIon exchange agent
Industry UsesIon exchange agent
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Glycine, N,N'-1,2-ethanediylbis-: ACTIVE
応用分野
使用Ethylenediamine-N,N'-diacetic acid is acts as a chelating agent, used as a haemostatic.
調製方法
純化方法Crystallise EDDA from H2O. [Beilstein 4 IV 2446.]
上流・下流製品情報
下流製品
サプライヤー74 社
関連反応
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