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| CAS No.: | 5964-35-2 |
|---|---|
| Name: | EDTA TETRAPOTASSIUM SALT |
| Molecular Structure: | |
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| Formula: | C10H16N2O8.4K |
| Molecular Weight: | 368.426 |
| Synonyms: | Aceticacid, (ethylenedinitrilo)tetra-, tetrapotassium salt (8CI);Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-,tetrapotassium salt (9CI);EDTA tetrapotassium salt;Ethylenediaminetetraaceticacid tetrapotassium salt;Potassium EDTA;Tetrapotassium EDTA;Tetrapotassiumethylenediaminetetraacetate;Versene K 4; |
| EINECS: | 227-743-5 |
| Density: | 1.34-1.67[at 20℃] |
| Boiling Point: | 614.2 °C at 760 mmHg |
| Flash Point: | 325.2 °C |
| Solubility: | 500g/L at 20℃ |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 167.00000 |
| LogP: | -7.41000 |
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Specification
This chemical is called Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, potassium salt (1:4), and it can also be named as EDTA tetrapotassium salt. With the molecular formula of C10H16N2O8.4K, its molecular weight is 444.60. The CAS registry number of this chemical is 5964-35-2.
Other characteristics of the Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, potassium salt (1:4) can be summarised as followings: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.49; (4)ACD/LogD (pH 7.4): -5.92; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 155.68 Å2; (13)Flash Point: 325.2 °C; (14)Enthalpy of Vaporization: 99.5 kJ/mol; (15)Boiling Point: 614.2 °C at 760 mmHg; (16)Vapour Pressure: 1.15E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [K+].[K+].[K+].[K+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
2.InChI: InChI=1/C10H16N2O8.4K/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);;;;/q;4*+1/p-4
3.InChIKey: JZBRFIUYUGTUGG-XBHQNQODAU