| CAS Number | 855249-83-1 |
| Catalog Number | AG01AUE3(AGN-PC-0V0ZC3) |
| Chemical Name | 3-(aminomethyl)-N,N-dimethylbenzene-1-sulfonamide hydrochloride |
| IUPAC Name | 3-(aminomethyl)-N,N-dimethylbenzenesulfonamide;hydrochloride |
| InChI | InChI=1S/C9H14N2O2S.ClH/c1-11(2)14(12,13)9-5-3-4-8(6-9)7-10;/h3-6H,7,10H2,1-2H3;1H |
| InChI Key | ZZTVRWGTLNFSDL-UHFFFAOYSA-N |
| MDL Number | MFCD29047206 |
| Molecular Formula | C9H15ClN2O2S |
| Molecular Weight | 250.7456 |
| SMILES | Cl.CN(S(C1=CC(CN)=CC=C1)(=O)=O)C |
| Synonyms | 855249-83-1,
3-(aminomethyl)-N,N-dimethylbenzene-1-sulfonamide hydrochloride,
SCHEMBL5728514,
AKOS030757478,
Z2235810224,
|
| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.741g/mol |
| Monoisotopic Mass | 250.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number