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N-Ethyltoluenesulfonamide(o and p mixture) - ≥98.0%, high purity , CAS No.76902-32-4
Basic Description
Synonyms | A865395 | NSC67979 | NSC-67979 | FT-0668405 | N-ethyl-2-methylbenzenesulfonamide;N-ethyl-4-methylbenzenesulfonamide | E79383 | E0187 | BS-44101 | SB82651 | AI3-09477 | Benzenesulfonamide,N-ethyl-ar-methyl- | ETHYLTOULENESULFONAMIDE | AKOS027250859 | N,4-d |
Specifications & Purity | ≥98% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | N-ethyl-2-methylbenzenesulfonamide;N-ethyl-4-methylbenzenesulfonamide |
INCHI | InChI=1S/2C9H13NO2S/c1-3-10-13(11,12)9-6-4-8(2)5-7-9;1-3-10-13(11,12)9-7-5-4-6-8(9)2/h2*4-7,10H,3H2,1-2H3 |
InChi Key | IDLSDSKPHLCUTN-UHFFFAOYSA-N |
Canonical SMILES | CCNS(=O)(=O)C1=CC=C(C=C1)C.CCNS(=O)(=O)C1=CC=CC=C1C |
Isomeric SMILES | CCNS(=O)(=O)C1=CC=C(C=C1)C.CCNS(=O)(=O)C1=CC=CC=C1C |
PubChem CID | 249542 |
Molecular Weight | 199.27 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index | 1.54 |
Flash Point(°F) | 193°C(lit.) |
Flash Point(°C) | 193°C(lit.) |
Molecular Weight | 398.500 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 2 |
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Hydrogen Bond Acceptor Count | 6 |
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Rotatable Bond Count | 6 |
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Exact Mass | 398.133 Da |
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Monoisotopic Mass | 398.133 Da |
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Topological Polar Surface Area | 109.000 Ų |
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Heavy Atom Count | 26 |
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Formal Charge | 0 |
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Complexity | 478.000 |
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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 | 2 |
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