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Basic Description
| Synonyms | TTHA | 3,6,9,12-Tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecane-1,14-dioic acid | 2,5,8,11-tetrakis(carboxymethyl)-2,5,8,11-tetraazadodecane-1,12-dicarboxylic acid | 3,6,9,12-tetrakis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioic acid | EINECS 212 |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
- Superclass Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Hexacarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hexacarboxylic acids and derivatives |
| Alternative Parents | Alpha amino acids Trialkylamines Amino acids Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Hexacarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as hexacarboxylic acids and derivatives. These are carboxylic acids containing exactly six carboxyl groups. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488184467 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184467 |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid |
| INCHI | InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34) |
| InChIKey | RAEOEMDZDMCHJA-UHFFFAOYSA-N |
| Smiles | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Isomeric SMILES | C(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| WGK Germany | 3 |
| PubChem CID | 70088 |
| Molecular Weight | 494.45 |
| Beilstein | 1811090 |
| Reaxy-Rn | 1811090 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2224277 |
Certificate of Analysis | Oct 16, 2023 | T106571 |
| I2301680 |
Certificate of Analysis | Sep 06, 2023 | T106571 |
| I2301658 |
Certificate of Analysis | Sep 06, 2023 | T106571 |
| I2301682 |
Certificate of Analysis | Sep 06, 2023 | T106571 |
| I2301683 |
Certificate of Analysis | Sep 06, 2023 | T106571 |
| G2402054 |
Certificate of Analysis | Aug 19, 2023 | T106571 |
| H2316490 |
Certificate of Analysis | Aug 19, 2023 | T106571 |
| H2316491 |
Certificate of Analysis | Aug 19, 2023 | T106571 |
| H2316492 |
Certificate of Analysis | Aug 19, 2023 | T106571 |
| A2224256 |
Certificate of Analysis | Jun 02, 2023 | T106571 |
| A2224245 |
Certificate of Analysis | Jun 02, 2023 | T106571 |
| A2224200 |
Certificate of Analysis | Jun 02, 2023 | T106571 |
| E2330108 |
Certificate of Analysis | Jun 02, 2023 | T106571 |
| A2224274 |
Certificate of Analysis | Jun 02, 2023 | T106571 |
| F2204610 |
Certificate of Analysis | Jun 09, 2022 | T106571 |
| F2204621 |
Certificate of Analysis | Jun 09, 2022 | T106571 |
| F2204617 |
Certificate of Analysis | Jun 09, 2022 | T106571 |
| E2304302 |
Certificate of Analysis | Jun 09, 2022 | T106571 |
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Chemical and Physical Properties
| Melt Point(°C) | 234-233°C |
|---|---|
| Molecular Weight | 494.500 g/mol |
| XLogP3 | -11.200 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 21 |
| Exact Mass | 494.186 Da |
| Monoisotopic Mass | 494.186 Da |
| Topological Polar Surface Area | 237.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 640.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Yanming Miao, Xinhao Zhang, Jinyao Li, Wenli Yang, Xiaomin Huang, Jinzhi Lv. (2022) Preparation and photodynamic antibacterial/anticancer effects of ultralong-lifetime room-temperature phosphorescent N-doped carbon dots. RSC Advances, 12 (32): (20481-20491). |
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