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DCTA (monohydrate)

CAT: 0804-HY-W013178-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W013178-02Size:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DCTA monohydrate is an organic acid. DCTA refers to N, N, N', N' -tetraacetic acid, which has a strong chelating ability. DCTA monohydrate can be used as a chelating agent and coordination reagent for metal ions. DCTA monohydrate, for example, forms stable complexes with many metal ions, including calcium, magnesium and zinc. DCTA modified with ethylene glycol is selective to calcium ions in the presence of magnesium ions[1][2].
CAS Number
125572-95-4
UNSPSC
12352200
Hazard Statement
H319, H401
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dcta-monohydrate.html
Purity
99.70
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(O)CN(CC(O)=O)[C@H]1[C@H](N(CC(O)=O)CC(O)=O)CCCC1.O
Molecular Formula
C14H24N2O9
Molecular Weight
364.35
Precautions
H319, H401
References & Citations
[1]Nakagawa G, et al. The Selective Chelatometry of Calcium in the Presence of Magnesium with Ethylene Glycol-bis (β-aminoethyl ether) -N, N, N′, N′-tetraacetic Acid[J]. Bulletin of the Chemical Society of Japan, 1963, 36 (3) : 320-324. |[2]Anisimov AV, et al. Measuring of water transport selectively along the plant root plasmodesmata using gradient nuclear magnetic resonance with paramagnetic doping. Plant Physiol Biochem. 2023 Jan;194:263-270.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Cyclohexane-1,2-diamine-N,N,N',N'-tetraacetic acid monohydrate, trans-
CAS Number125572-95-4
PubChem CID2723844
IUPAC Name2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
Molecular FormulaC14H24N2O9
Molecular Weight364.35
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count25
Formal Charge0
Complexity419
SMILES
C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O
InChI
InChI=1S/C14H22N2O8.H2O/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24;/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24);1H2/t9-,10-;/m1./s1
InChIKey
VASZYFIKPKYGNC-DHTOPLTISA-N
Chemical Structure
2D Structure
2D structure of Cyclohexane-1,2-diamine-N,N,N',N'-tetraacetic acid monohydrate, trans-
CAS: 125572-95-4
CID: 2723844
Formula: C14H24N2O9
MW: 364.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.35
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass364.14818035
Monoisotopic Mass364.14818035
Topological Polar Surface Area157 Ų
Heavy Atom Count25
Formal Charge0
Complexity419
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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