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| CAS No.: | 31089-39-1 |
|---|---|
| Name: | 2,2',2''-nitrilotrisethanol, coppersalt |
| Molecular Structure: | |
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| Formula: | C6H15CuNO3 |
| Molecular Weight: | 210.71832 |
| Synonyms: | 2,2,2-nitrilotrisethanol, coppersalt;Copper triethanolamine;2,2,2-Nitrilotriethanol copper salt;2-(bis(2-hydroxyethyl)amino)ethanol: copper(+1) cation;COPPERTRIETHANOLAMINECOMPLEX;2,2,2-Nitrilotrisethanol/copper,(1:x) salt |
| EINECS: | 250-459-8 |
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Specification
The Ethanol, 2,2',2''-nitrilotri-, copper salt is an organic compound with the formula C6H15CuNO3. The IUPAC name of this chemical is 2-[bis(2-hydroxyethyl)amino]ethanol; copper(1+). With the CAS registry number 31089-39-1, it is also named as ethanol, 2,2',2''-nitrilotris-, copper salt (1:1).
Physical properties about Ethanol, 2,2',2''-nitrilotri-, copper salt are: (1)#H bond acceptors: 4; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 63.93 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cu].OCCN(CCO)CCO
(2)InChI: InChI=1/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;
(3)InChIKey: HSXKMKJYFOZAIV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C6H15NO3.Cu/c8-4-1-7(2-5-9)3-6-10;/h8-10H,1-6H2;
(5)Std. InChIKey: HSXKMKJYFOZAIV-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | skin | > 8gm/kg (8000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C178, 1991. | |
| rat | LD50 | oral | 8gm/kg (8000mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C178, 1991. |