Ethylenediaminetetraacetate-copper-ammonia complex supplier

Name
Ethylenediaminetetraacetate-copper-ammonia complex
EINECS 268-018-3
CAS No. 67989-88-2
Density
Solubility 732g/L at 20℃
Melting Point
Formula C₁₀H₁₂ Cu N₂O₈ . 2 H₄N
Boiling Point 614.2 °Cat760mmHg
Molecular Weight 387.84
Flash Point 325.2 °C
Transport Information
Appearance
Safety S24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 139.34000
LogP -4.26910

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

Product Name

Ethylenediaminetetraacetate-copper-ammonia complex

Ethylenediaminetetraacetate-copper-ammonia complex Specification

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