| CAS Number | 1820712-14-8 |
| Catalog Number | AG00I10L |
| Chemical Name | N,N-Bis(4-cyanophenethyl)methanesulfonamide |
| IUPAC Name | N,N-bis[2-(4-cyanophenyl)ethyl]methanesulfonamide |
| InChI | InChI=1S/C19H19N3O2S/c1-25(23,24)22(12-10-16-2-6-18(14-20)7-3-16)13-11-17-4-8-19(15-21)9-5-17/h2-9H,10-13H2,1H3 |
| InChI Key | HZSKLGXGFJFYMB-UHFFFAOYSA-N |
| MDL Number | MFCD28369586 |
| Molecular Formula | C19H19N3O2S |
| Molecular Weight | 353.4381 |
| SMILES | N#Cc1ccc(cc1)CCN(S(=O)(=O)C)CCc1ccc(cc1)C#N |
| Synonyms | N,N-Bis(4-cyanophenethyl)methanesulfonamide,
1820712-14-8,
AKOS027367047,
ZINC217046901,
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| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 353.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 353.44g/mol |
| Monoisotopic Mass | 353.12g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 93.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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