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Basic Description
| Synonyms | ACES, BioPerformance Certified, >=99.0% | Ethanesulfonic acid, 2-[(2-amino-2-oxoethyl)amino]- | 3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride | F20338 | MFCD00008030 | AKOS015892697 | EINECS 230-908-4 | Ethanesulfonic acid, 2-((2-ami |
|---|---|
| Specifications & Purity | anhydrous, ≥99% |
| Grade | anhydrous |
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 | Organic sulfonic acids and derivatives |
| Subclass | Organosulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organosulfonic acids |
| Alternative Parents | Sulfonyls Alkanesulfonic acids Dialkylamines Carboximidic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Carboximidic acid - Carboximidic acid derivative - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
| External Descriptors | 1,1-diunsubstituted alkanesulfonate - ACES |
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Names and Identifiers
| IUPAC Name | 2-[(2-amino-2-oxoethyl)amino]ethanesulfonic acid |
|---|---|
| INCHI | InChI=1S/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10) |
| InChIKey | DBXNUXBLKRLWFA-UHFFFAOYSA-N |
| Smiles | C(CS(=O)(=O)O)NCC(=O)N |
| Isomeric SMILES | C(CS(=O)(=O)O)NCC(=O)N |
| WGK Germany | 3 |
| Molecular Weight | 182.2 |
| Beilstein | 2253770 |
| Reaxy-Rn | 2253770 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2253770&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Solubility | water: 5% (w/w), clear, colorless |
|---|---|
| Melt Point(°C) | ＞220°C |
| Molecular Weight | 182.200 g/mol |
| XLogP3 | -4.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 182.036 Da |
| Monoisotopic Mass | 182.036 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 217.000 |
| 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 |
Solution Calculators
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