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ACES - anhydrous, ≥99.0%, high purity , CAS No.7365-82-4
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 |
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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) |
InChi Key | DBXNUXBLKRLWFA-UHFFFAOYSA-N |
Canonical 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= |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility | water: 5% (w/w), clear, colorless |
Melt Point(°C) | >220°C |
Molecular Weight | 182.200 g/mol |
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XLogP3 | -4.700 |
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Hydrogen Bond Donor Count | 3 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 5 |
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Exact Mass | 182.036 Da |
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Monoisotopic Mass | 182.036 Da |
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Topological Polar Surface Area | 118.000 Ų |
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Heavy Atom Count | 11 |
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Formal Charge | 0 |
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Complexity | 217.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
WGK Germany | 3 |
Reaxy-Rn | 2253770 |
Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2253770&ln= |
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