| CAS Number | 40431-39-8 |
| Catalog Number | AG01AB5B(AGN-PC-0NITXL) |
| Chemical Name | 2-(aminomethyl)-N-methylbenzene-1-sulfonamide |
| IUPAC Name | 2-(aminomethyl)-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C8H12N2O2S/c1-10-13(11,12)8-5-3-2-4-7(8)6-9/h2-5,10H,6,9H2,1H3 |
| InChI Key | XUYPBIIDRIWCSE-UHFFFAOYSA-N |
| MDL Number | MFCD09734688 |
| Molecular Formula | C8H12N2O2S |
| Molecular Weight | 200.2581 |
| SMILES | CNS(C1=C(CN)C=CC=C1)(=O)=O |
| Synonyms | 2-(aminomethyl)-N-methylbenzene-1-sulfonamide,
40431-39-8,
2-(AMINOMETHYL)-N-METHYLBENZENESULFONAMIDE,
Benzenesulfonamide, 2-(aminomethyl)-N-methyl-,
AC1Q41C7,
SCHEMBL19859155,
CTK7E6577,
ZINC22211331,
AKOS000144743,
MCULE-9000604952,
NE48735,
DA-06104,
FT-0718645,
EN300-70510,
Z1263820309,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.256g/mol |
| Monoisotopic Mass | 200.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number