Diaminocyclohexanetetraacetic acid

Diaminocyclohexanetetraacetic acid

Names
Other names CyDTAH4, DCTA
Identifiers
CAS Number	13291-61-7 monohydrate: 125572-95-4
3D model (JSmol)	Interactive image monohydrate: Interactive image
ChemSpider	2006033 monohydrate: 2006032
EC Number	236-308-9
PubChem CID	2723845 monohydrate: 2723844
UNII	JD2BU42P20
InChI InChI=1S/C14H22N2O8/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)/t9-,10-/m1/s1 Key: FCKYPQBAHLOOJQ-NXEZZACHSA-N monohydrate: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 Key: VASZYFIKPKYGNC-DHTOPLTISA-N
SMILES C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O monohydrate:C1CC[C@H]([C@@H](C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.O
Properties
Chemical formula	C14H22N2O8
Molar mass	346.336 g·mol−1
Appearance	white solid
Melting point	213–216 °C (415–421 °F; 486–489 K)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Diaminocyclohexanetetraacetic acid is an organic compound with the formula C₆H₁₀(N(CH₂CO₂H)₂)₂. It is an aminopolycarboxylic acid, structurally related to EDTA but with a chiral backbone derived from trans-1,2-diaminocyclohexane.

Among its many complexes are the 7-coordinate titanyl(IV), titanium(III), vanadium(III), and iron(III) derivatives. ^{[1] [2] [3]} The Cr(III) derivative is 6-coordinate. ^[4]

References

1. Liu, Qiong-Xin; Zhou, Zhao-Hui (2012). "Monomeric peroxo titanate coordinated with cyclohexanediaminetetraacetate: Towards the Active Oxygen Species of the Ti(IV) Site Hosted in the Titanium Silicalite Catalyst TS-1". Polyhedron. 35: 1–6. doi:10.1016/j.poly.2011.12.037.
2. Shimoi, Mamoru; Miyamoto, Shigeru; Ogino, Hiroshi (1991). "Synthesis and Crystal Structure of Seven-Coordinate (trans-1,2-Cyclohexanediamine- N,N,N ,N′-tetraacetato)aquavanadate(III)". Bulletin of the Chemical Society of Japan. 64 (8): 2549–2550. doi:10.1246/bcsj.64.2549.
3. Seibig, Sabine; Van Eldik, Rudi (1998). "Structural Information on trans-1,2-Diaminocyclohexane-N,N′-tetraacetateferrate(III) in the Solid and Aqueous Phase". Inorganica Chimica Acta. 279: 37–43. doi:10.1016/S0020-1693(98)00033-4.
4. Kaizaki, Sumio; Hayashi, Mariko; Umakoshi, Keisuke; Ooi, Shun-Ichiro (1988). "The X-Ray Structure of Sodium trans-1,2-Cyclohexanediamine-N,N,N′,N′-tetraacetatochromate(III) 4.5-Hydrate, Na[Cr(cydta)]·4.5H₂O". Bulletin of the Chemical Society of Japan. 61 (10): 3519–3523. doi:10.1246/bcsj.61.3519.