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| CAS No.: | 67859-51-2 |
|---|---|
| Name: | Ethylenediaminetetraacetate-zinc-ammonia complex |
| Molecular Structure: | |
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| Formula: | C10H20N4O8Zn |
| Molecular Weight: | 389.6968 |
| Synonyms: | Zincate(2-),[[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-,diammonium, (OC-6-21-)-;Zincate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, diammonium, (OC-6-21-)- (9CI);Ethylenediaminetetraacetate-zinc-ammonia complex; |
| EINECS: | 267-400-7 |
| Melting Point: | <32F |
| Boiling Point: | 614.2 °C at 760 mmHg |
| Flash Point: | 325.2 °C |
| Solubility: | completely miscible with water |
| Appearance: | Clear liquid |
| PSA: | 140.16000 |
| LogP: | -1.64220 |
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Specification
The Ethylenediaminetetraacetate-zinc-ammonia complex with the CAS number 67859-51-2 is also called Zincate(2-),[[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, ammonium (1:2), (OC-6-21-)-. The IUPAC name is diazanium zinc2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate. Its molecular formula is C10H20N4O8Zn. The EINECS registry number is 267-400-7.
The properties of the Ethylenediaminetetraacetate-zinc-ammonia complex are: (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: 133.68 Å2; (13)Enthalpy of Vaporization: 99.5 kJ/mol; (14)Vapour Pressure: 1.15×10-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Zn+2].[O-]C(=O)CN(CCN(CC([O-])=O)CC(=O)O)CC(=O)O.N.N
(2)InChI: InChI=1/C10H16N2O8.2H3N.Zn/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*1H3;/q;;;+2/p-2
(3)InChIKey: GWHKVBGPJWLRSZ-NUQVWONBAT