Ethylenediaminetriacetic acid

HCID 167782CAS 688-57-3

基本情報

標準SMILES: O=C(O)CNCCN(CC(=O)O)CC(=O)O
InChIKey: OUDSFQBUEBFSPS-UHFFFAOYSA-N
分子式: C8H14N2O6
平均分子量: 234.21 g/mol
単同位体質量: 234.08518617

概要

Ethylenediaminetriacetic acid is an ethylenediamine derivative in which three 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, a tricarboxylic acid, an ethylenediamine derivative and a polyamino carboxylic acid. It is a conjugate acid of an ethylenediaminetriacetate(2-).

名称と識別子

優先名称: Ethylenediaminetriacetic acid
IUPAC: 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid
英語名: Glycine, N-(carboxymethyl)-N-2-(carboxymethyl)aminoethyl-
分子式: C8H14N2O6
分子量: 234.21

名称と別名

ethylenediaminetriacetic acidN-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycinen-{2-[bis(carboxymethyl)amino]ethyl}glycineGlycine, N-(carboxymethyl)-N-2-(carboxymethyl)aminoethyl-CHEBI:132232Glycine, N-(carboxymethyl)-N-[2-[(carboxymethyl)amino]ethyl]-Glycine, N-(carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycineRefChem:596741614-744-4688-57-32-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid

名称をさらに表示

Triacetic Acid Impurity 1n-{2-[bis(carboymethyl)amino]ethyl}glycineN-(CarboxyMethyl)-N-2-(carboxyMethyl)aMinoethylglycine1H-Pyrazole-5-carboxylicacid,1-methyl-3-(5-methylethyl)-Triacetic Acid Impurity 1 (Ethylenediaminetriacetic Acid)

2,2'-((2-((Carboxymethyl)amino)ethyl)azanediyl)diacetic acidED3ASCHEMBL111010triscarboxymethylethylenediamineethylene diamine triacetic acid2-({2-[bis(carboxymethyl)amino]ethyl}amino)acetic acidDTXSID80218909MFCD27935479

データベース識別子

CAS: 688-57-3
PubChem CID: 167782
DTXSID: DTXSID80218909
ChEBI: CHEBI:132232
EC Number: 614-744-4
Nikkaji: J745.497J

物性

構造計算による物性

XLogP: -5.9
極性表面積: 127 Å²
水素結合供与体数: 4
水素結合受容体数: 8
回転可能結合数: 9
重原子数: 16
形式電荷: 0
複雑度: 251

物理化学的性質

沸点: 525.7 · 525.7±50.0 °C(Predicted)
比重(密度): 1.458 · 1.458±0.06 g/cm3(Predicted)
溶解性: Water (Slightly)
酸解離定数(Pka): 1.68 · 1.68±0.10(Predicted)
外見: Solid
色: White to Off-White
安定性: Hygroscopic

安全と法規制

危険有害性情報

Regulatory InformationGlycine, N-(carboxymethyl)-N-2-(carboxymethyl)aminoethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

注意喚起語: 警告
危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

サプライヤー30 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

補足説明

定義ChEBI: An ethylenediamine derivative in which three of the four amine protons of ethylenediamine are replaced by carboxymethyl groups.