| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:08:18 UTC |
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| Update date | 2018-05-28 23:20:25 UTC |
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| Primary ID | FDB008897 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer |
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| Description | Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer is a moderately basic compound (based on its pKa). |
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| CAS Number | 40623-75-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Acrylate-2-acrylamido-2-methyl propane sulfonate copolymer | Generator | | Acrylate-2-acrylamido-2-methyl propane sulphonate copolymer | Generator | | Acrylic acid-2-acrylamido-2-methyl propane sulphonic acid copolymer | Generator | | Acrylic acid amps copolymer | HMDB | | Acrylic acid-acrylamidomethylpropylsulfonic acid copolymer | HMDB | | Calgon aa-ampsa | HMDB | | Calgon TRC 233 | HMDB | | Calgon TRC 2331 | HMDB | | Poly(acrylamidomethylpropanesulfonic acid-CO-acrylic acid) | HMDB | | SCR 100 (Surfactant) | HMDB | | Therma-thin DP | HMDB | | N-(2-Sulfobutan-2-yl)prop-2-enimidate | Not Available | | prop-2-enoate | Not Available | | N-(2-Sulphobutan-2-yl)prop-2-enimidate | Not Available | | N-(2-Sulphobutan-2-yl)prop-2-enimidic acid | Not Available | | prop-2-enoic acid | Not Available | | Poly(acrylamidomethylpropanesulfonic acid-co-acrylic acid) | biospider | | SCR 100 (surfactant) | biospider |
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| Predicted Properties | |
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| Chemical Formula | C10H17NO6S |
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| IUPAC name | 2-(prop-2-enamido)butane-2-sulfonic acid; prop-2-enoic acid |
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| InChI Identifier | InChI=1S/C7H13NO4S.C3H4O2/c1-4-6(9)8-7(3,5-2)13(10,11)12;1-2-3(4)5/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);2H,1H2,(H,4,5) |
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| InChI Key | YVDXQYOOUXSXMU-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C=C.CCC(C)(NC(=O)C=C)S(O)(=O)=O |
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| Average Molecular Weight | 279.31 |
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| Monoisotopic Molecular Weight | 279.077657971 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Organic sulfonic acids and derivatives |
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| Sub Class | Organosulfonic acids and derivatives |
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| Direct Parent | Organosulfonic acids |
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| Alternative Parents | |
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| Substituents | - Organosulfonic acid
- Sulfonyl
- Alkanesulfonic acid
- Acrylic acid or derivatives
- Acrylic acid
- Carboxamide group
- Secondary carboxylic acid amide
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Carboxylic acid
- Organic oxide
- Hydrocarbon derivative
- Carbonyl group
- Organosulfur compound
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aliphatic acyclic compound
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| Molecular Framework | Not Available |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Source: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Acrylic acid-2-acrylamido-2-methyl propane sulfonic acid copolymer, TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-05di-9100000000-9bb15bc91b0dbc41366e | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-001i-0090000000-928afd739379bb32b03f | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001i-0090000000-928afd739379bb32b03f | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-0090000000-928afd739379bb32b03f | 2016-06-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0090000000-6b161644fe81f2230f42 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0090000000-6b161644fe81f2230f42 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-0090000000-6b161644fe81f2230f42 | 2016-08-03 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 56634 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 62909 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 53546 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB32162 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | 62 |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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