| CAS Number | 192218-45-4 |
| Catalog Number | AG01C1YZ(AGN-PC-06MV0U) |
| Chemical Name | 4-[(Ethanesulfonyl)methyl]aniline |
| IUPAC Name | 4-(ethylsulfonylmethyl)aniline |
| InChI | InChI=1S/C9H13NO2S/c1-2-13(11,12)7-8-3-5-9(10)6-4-8/h3-6H,2,7,10H2,1H3 |
| InChI Key | AFSWLHHKINPPFC-UHFFFAOYSA-N |
| MDL Number | MFCD12171583 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | CCS(CC1=CC=C(N)C=C1)(=O)=O |
| Synonyms | 4-[(ethanesulfonyl)methyl]aniline,
192218-45-4,
SCHEMBL3442462,
ZINC35320258,
AKOS009482068,
FT-0708797,
A1-07551,
Z2240999314,
4-[(ethylsulfonyl)methyl]Benzenamine,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number