| CAS Number | 1193390-20-3 |
| Catalog Number | AG019VRQ(AGN-PC-07HC4O) |
| Chemical Name | 4-cyano-N-[3-(dimethylamino)propyl]benzene-1-sulfonamide hydrochloride |
| IUPAC Name | 4-cyano-N-[3-(dimethylamino)propyl]benzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C12H17N3O2S.ClH/c1-15(2)9-3-8-14-18(16,17)12-6-4-11(10-13)5-7-12;/h4-7,14H,3,8-9H2,1-2H3;1H |
| InChI Key | CLGMZKZUICXPJK-UHFFFAOYSA-N |
| MDL Number | MFCD12197231 |
| Molecular Formula | C12H18ClN3O2S |
| Molecular Weight | 303.8082 |
| SMILES | Cl.CN(CCCNS(C1=CC=C(C#N)C=C1)(=O)=O)C |
| Synonyms | 4-cyano-N-[3-(dimethylamino)propyl]benzene-1-sulfonamide hydrochloride,
1193390-20-3,
EN300-48611,
AC1Q3BLA,
CTK6I0768,
AKOS008009732,
MCULE-3590050271,
NE15495,
J-004108,
Z48802716,
|
| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.805g/mol |
| Monoisotopic Mass | 303.081g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number