disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate

• ChemBase编号: 105856
• 分子式: C10H18N2Na2O10
• 平均质量: 372.23686
• 单一同位素质量: 372.07568335
• SMILES: O.O.[Na+].[Na+].OC(=O)CN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)[O-].O.O.[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.2Na.2H2O/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;2*1H2/q;2*+1;;/p-2
• InChIKey: OVBJJZOQPCKUOR-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate
• IUPAC传统名: dipotassium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate; disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate dihydrate
• 别名: 乙二胺四乙酸二钠盐二水合物, ACS; 乙二胺四乙酸二钠盐二水合物; Ethylenediaminetetraacetic acid disodium salt dihydrate, ACS; EDTA; ETHYLENEDIAMINE TETRAACETIC ACID DISODIUM SALT DIHYDRATE; EDTA disodium salt; (Ethylenedinitrilo)-Tetraacetic Acid disodium salt; Cheladrate; Chelaplex III; Chelaton III; Complexon III; d'E.D.T.A. Disodique; Disodium diacid ethylenediaminetetraacetate; EDTA, DISODIUM SALT DIHYDRATE; EDTA disodium salt dihydrate; Ethylenediaminetetraacetic acid disodium salt dihydrate

登记号

• CAS号: 6381-92-6
• EC号: 205-358-3; 200-449-4
• MDL号: MFCD00150037
• Beilstein号: 3900609
• PubChem SID: 162092844
• PubChem CID: 636371

理论计算性质

• Acid pKa: 1.486185
• 质子受体: 10
• 质子供体: 2
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• 摩尔折射率: 84.0198 cm^3
• 极化性: 24.457794 Å^3
• 极化表面积: 161.34 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder
• 熔点: 248 °C with decomposition; 248°C dec.
• 闪点: > 100 °C (closed cup and DIN 51758)
• 自燃点: > 200 °C (DIN 51794)

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: AH4025000; AH4375000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3077
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: R:36/37/38-58
• 安全公开号: S:20-25-26-29-29-37/39-61
• 欧盟危险货物分类: M7
• 欧盟危险识别号(EUHIN): 13
• 美国ERG指导号: 171
• TSCA收录: 是

产品相关信息

• 纯度: ≥99%; 99%; 99.0-101.0%; 99+%

详细说明

MP Biomedicals - 02194822

Molecular Biology Reagent
Purity: 99+%
Disodium Salt
Dihydrate
Ideal for most molecular biology applications.

MP Biomedicals - 02195173

Disodium Salt
Dihydrate
Purity: 99%
Chelating agent.
Produces colorless aqueous solutions.

MP Biomedicals - 05207167

MP Biomedicals Rare Chemical collection

参考文献

• Hexadentate chelating ligand for di- and trivalent cations.