trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate

• ChemBase编号: 103243
• 分子式: C10H15N2Na3O9
• 平均质量: 376.20341
• 单一同位素质量: 376.04706291
• SMILES: O.[Na+].[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.[Na+].[Na+].[Na+]
• InChI: InChI=1S/C10H16N2O8.3Na.H2O/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);;;;1H2/q;3*+1;/p-3
• InChIKey: KKTNQJMZBPLVKM-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate
• IUPAC传统名: trisodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate; tripotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxymethyl)amino)acetate hydrate
• 别名: EDTA 三钠盐; 亚乙基二次氮基四乙酸 三钠盐; 乙二胺四乙酸 三钠盐 水合物; EDTA 三钠盐 水合物; EDTA trisodium salt; Ethylenediaminetetraacetic acid trisodium salt hydrate; (Ethylenedinitrilo)tetraacetic acid trisodium salt hydrate; Edathamil hydrate; EDTA trisodium salt hydrate; Celon A; Endrate; (Ethylenedinitrilo)tetraacetic acid trisodium salt; Edathamil; ETHYLENEDIAMINETETRAACETIC ACID; EDTA Triasodium salt; Edetic acid; Tricon BW

登记号

• CAS号: 10378-22-0; 85715-60-2
• EC号: 205-758-8; 200-449-4
• MDL号: MFCD00149675
• PubChem SID: 24846730; 24894709; 162103000
• PubChem CID: 16211179

理论计算性质

• Acid pKa: 1.486185
• 质子受体: 10
• 质子供体: 1
• LogD (pH = 5.5): -10.586659
• LogD (pH = 7.4): -14.721412
• Log P: -5.221795
• 摩尔折射率: 94.8569 cm^3
• 极化性: 24.339533 Å^3
• 极化表面积: 164.17 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

• 溶解度: H2O: soluble, clear, colorless to light yellow
• 熔点: >300 °C(lit.); 250 °C with decomposition
• 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
• 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
• 德国WGK号: 2
• 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: 36/37/38; R:36/37/38-58
• 安全公开号: 26-36; 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
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥95%; 95%; 98%
• 线性分子式: (NaO2CCH2)2NCH2CH2N(CH2CO2Na)CH2CO2H·xH2O
• Empirical Formula (Hill Notation): C10H13N2Na3O8 · xH2O

详细说明

MP Biomedicals - 02151088

Trisodium Salt
Monohydrate
Crystalline
Purity: 98%
Actually a physical blend of EDTA disodium and EDTA tetrasodium.

Sigma Aldrich - ED3SS

Application
Used to eliminate enzyme inhibition by traces of heavy metals, and to inhibit enzymes that require divalent cations as cofactors.
Other Notes
This is a physical blend of the disodium and tetrasodium salts of EDTA.

Sigma Aldrich - 106321

包装
100, 500 g in poly bottle