1,2-Cyclohexylendinitrilotetraessigsäure - AR , CAS No.482-54-2

CAS: 482-54-2 Cat. No.: C193548 Summenformel: C₁₄H₂₂N₂O₈ Molekulargewicht: 346.33 EG-Nummer: 207-582-7

GRADE & PURITY AR

Synonyms

2-({2-[bis(carboxymethyl)amino]cyclohexyl}(carboxymethyl)amino)acetic acid | 1,2-Cyclohexylenedinitrilotetraacetic acid | 1,2-Diaminocyclohexane-N,N'-tetraacetic acid | O10552 | Cyclohexane-1,2-diaminetetraacetic acid | 1,2-Diaminocyclohexanetetraacetic a

Storage

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Specifications

Synonyme

2-({2-[bis(carboxymethyl)amino]cyclohexyl}(carboxymethyl)amino)acetic acid | 1,2-Cyclohexylenedinitrilotetraacetic acid | 1,2-Diaminocyclohexane-N,N'-tetraacetic acid | O10552 | Cyclohexane-1,2-diaminetetraacetic acid | 1,2-Diaminocyclohexanetetraacetic a

Spezifikationen & Reinheit

AR

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Note

AR

Namen und Kennungen

• Pubchem Sid: 528753675
• Kanonisches Lächeln: C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
• IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid
• InChIKey: FCKYPQBAHLOOJQ-UHFFFAOYSA-N
• 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)
• Isomere SMILES: C1CCC(C(C1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
• Molekulargewicht: 346.33
• Reaxy-Rn: 842576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=842576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Alpha amino acids Cyclohexylamines Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Cyclohexylamine - Amino acid or derivatives - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Molekulargewicht: 346.330 g/mol
• XLogP3: -4.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 346.138 Da
• Monoisotopic Mass: 346.138 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 419.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Yuanyuan Zhao, Jinfeng Bi, Xiaoyan Zhao, Søren Balling Engelsen, Xinye Wu, Youchuan Ma, Yuxia Guo, Qianqian Du, Jianyong Yi.  (2023)  New insight into pectic fractions of cell wall: Impact of extraction on pectin structure and in vitro gut fermentation.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37865353] [10.1016/j.ijbiomac.2023.127515]

2. Yongjia Lei, Lirong Zhao, Cheng Fang, Ravi Naidu, Dong Tian, Li Zhao, Mei Huang, Jinsong He, Zhang Cheng, Zhenxing Zeng, Jianmei Zou, Xiaohong Zhang, Shihuai Deng, Fei Shen.  (2023)  A novel enhanced defluorination of perfluorooctanoic acids by surfactant-assisted ultrasound coupling persulfate.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123906]

3. Nawei Zhang, Yu Gao, Gang Fan, Wu Zhong, Xuanxuan Chen, Xiao Guo, Jeanett Hansen, Bodil Jørgensen, Erhu Li.  (2022)  Combined high-throughput and fractionation approaches reveal changes of polysaccharides in blueberry skin cell walls during fermentation for wine production.  FOOD RESEARCH INTERNATIONAL,      [PMID:36461247] [10.1016/j.foodres.2022.112027]

4. Jun Wang, Yuxian Chen, Hui Wang, Shuyao Wang, Zina Lin, Lili Zhao, Huaide Xu.  (2022)  Ethanol and blanching pretreatments change the moisture transfer and physicochemical properties of apple slices via microstructure and cell-wall polysaccharides nanostructure modification.  FOOD CHEMISTRY,      [PMID:35121323] [10.1016/j.foodchem.2022.132274]

5. Baidi Chen, Jin Wang, Lingjun Kong, Xiaoxia Mai, Ningchao Zheng, Qiaohui Zhong, Jiayi Liang, Diyun Chen.  (2017)  Adsorption of uranium from uranium mine contaminated water using phosphate rock apatite (PRA): Isotherm, kinetic and characterization studies.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2017.01.055]

6. Zakir Hussain, Li Daosheng, Li Xi, Kang Jianxiong.  (2015)  Defluoridation by a Mg–Al–La triple-metal hydrous oxide: synthesis, sorption, characterization and emphasis on the neutral pH of treated water.  RSC Advances,  5  (55): (43906-43916).  [PMID:] [10.1039/C5RA05539C]

7. Xiuquan Jia, Jiping Ma, Min Wang, Zhongtian Du, Fang Lu, Feng Wang, Jie Xu.  (2014)  Promoted role of Cu(NO3)2 on aerobic oxidation of 5-hydroxymethylfurfural to 2,5-diformylfuran over VOSO4.  APPLIED CATALYSIS A-GENERAL,      [PMID:] [10.1016/j.apcata.2014.05.031]

8. Ye Yuanyao, Yan Xueyi, Li Xi, Huang Shijing, Jiang Wei, Liu Dongqi, Ren Yongzheng, Cheng Dongle.  (2024)  Ethanol Treated Mn–Zr Compound for Fluoride Removal and its Adsorption Mechanism.  International Journal of Environmental Research,  18  (4): (1-15).  [PMID:] [10.1007/s41742-024-00608-3]

9. Yongjia Lei, Hongyu Zeng, Ravi Naidu, Dong Tian, Li Zhao, Mei Huang, Jinsong He, Jianmei Zou, Shihuai Deng, Li Sun, Fei Shen.  (2024)  Experimental and numerical investigation on the effect of frequency combinations on PFOA defluorination by dual-frequency ultrasound coupling persulfate.  Environmental Technology & Innovation,      [PMID:] [10.1016/j.eti.2024.103598]

10. Pengfei Shen, Xiaolin Zhang, Hui Xu, Bingcai Pan.  (2025)  Substitution–Leaching–Deposition (SLD) Processes Drive Reversible Surface Layer Reconstruction of Metal Oxides for Fluoride Adsorption.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:39930573] [10.1021/acs.est.4c11768]

11. Fengyun Zhang, Yaoqi Wei, Yaping Zhang, Huanhuan Zhang, Lei Jiang, Xiangfei Liang.  (2025)  Field-deployable spectrophotometric determination of uranium in aqueous systems using Br-PADAP.  Analytical Methods,      [PMID:40856760] [10.1039/D5AY01073J]

12. Xu Ping, Wu Qingbiao, Li Yemian, Zhuang Sixuan, Wang Yufei, Zhu Zuolong, Li Lun, Ma Yinglin.  (2026)  Optimized ion-chromatographic method for determining 226Ra in aerosols using 223Ra as a tracer.  JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY,      [PMID:] [10.1007/s10967-026-10789-0]

13. Yufeng Chen, Jialai Zhang, Siqi Lan, Yuhang Lei, Xuxia Zhou, Yuting Ding, Shulai Liu, Baiyi Lu.  (2026)  Comparative evaluation of sequence-dependent effects of pulsed electric field coupled with pectinase treatment on olive oil extraction efficiency.  FOOD CHEMISTRY,      [PMID:42202408] [10.1016/j.foodchem.2026.149669]