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Ethylenediaminetetraacetate-copper-ammonia complex

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Name

Ethylenediaminetetraacetate-copper-ammonia complex

EINECS 268-018-3
CAS No. 67989-88-2 Density N/A
PSA 139.34000 LogP -4.26910
Solubility 732g/L at 20℃ Melting Point N/A
Formula C10H12 Cu N2 O8 . 2 H4 N Boiling Point 614.2 °Cat760mmHg
Molecular Weight 387.84 Flash Point 325.2 °C
Transport Information N/A Appearance N/A
Safety S24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 67989-88-2 (Ethylenediaminetetraacetate-copper-ammonia complex) Hazard Symbols N/A
Synonyms

Ammonium[(ethylenedinitrilo)tetraacetato]cuprate(II) (7CI);Cuprate(2-),[[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-,diammonium, (OC-6-21)-;Cuprate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kO)methyl]glycinato-kN,kO]](4-)]-, diammonium, (OC-6-21)- (9CI);Versene AG;

 

Ethylenediaminetetraacetate-copper-ammonia complex Specification

The Ethylenediaminetetraacetate-copper-ammonia complex, with its cas registry number 67989-88-2, has the IUPAC name of copper; azane; 2-[carboxymethyl-[2-[carboxymethyl-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate. And it belongs to the product categories which are organometallics. When you are dealing with it, remember to avoid contacting with skin and eyes.

The characteristics of this chemical are as follows: (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; (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; (17)Exact Mass: 387.057715; (18)MonoIsotopic Mass: 387.057715; (19)Topological Polar Surface Area: 163; (20)Heavy Atom Count: 23; (21)Formal Charge: 0; (22)Complexity: 336.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].N.N.[Cu+2]
(2)InChI: InChI=1S/C10H16N2O8.Cu.2H3N/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: QWQCKWBAUUOYMU-UHFFFAOYSA-L

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