| CAS Number | 81880-95-7 |
| Catalog Number | AG00G8RR(AGN-PC-0NKFL7) |
| Chemical Name | N-[(4-aminophenyl)methyl]methanesulfonamide |
| IUPAC Name | N-[(4-aminophenyl)methyl]methanesulfonamide |
| InChI | InChI=1S/C8H12N2O2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-5,10H,6,9H2,1H3 |
| InChI Key | TUAUDVGBJMBLTF-UHFFFAOYSA-N |
| MDL Number | MFCD01310487 |
| Molecular Formula | C8H12N2O2S |
| Molecular Weight | 200.2581 |
| SMILES | CS(NCC1=CC=C(N)C=C1)(=O)=O |
| Synonyms | N-[(4-aminophenyl)methyl]methanesulfonamide,
N-(4-aminobenzyl)methanesulfonamide,
81880-95-7,
SCHEMBL2025236,
TUAUDVGBJMBLTF-UHFFFAOYSA-N,
ZINC2569608,
AKOS008104957,
N-(4-Amino-benzyl)-methanesulfonamide,
MCULE-9862719543,
NE22672,
DA-41291,
FT-0756423,
N-[(4-aminophenyl)methyl]-methanesulfonamide,
N-[(4-Aminophenyl)methyl]methanesulphonamide,
EN300-80282,
Z1270207981,
|
| Complexity | 237 |
| 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 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number