| CAS Number | 635702-61-3 |
| Catalog Number | AG01A87T(AGN-PC-082NCI) |
| Chemical Name | 4-[(Propane-2-sulfonyl)methyl]aniline |
| IUPAC Name | 4-(propan-2-ylsulfonylmethyl)aniline |
| InChI | InChI=1S/C10H15NO2S/c1-8(2)14(12,13)7-9-3-5-10(11)6-4-9/h3-6,8H,7,11H2,1-2H3 |
| InChI Key | DDGGXSJRHALAOX-UHFFFAOYSA-N |
| MDL Number | MFCD12801280 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | CC(S(CC1=CC=C(N)C=C1)(=O)=O)C |
| Synonyms | 4-[(propane-2-sulfonyl)methyl]aniline,
635702-61-3,
AC1Q1QTD,
SCHEMBL2785036,
CTK6B1240,
ZINC37687091,
AKOS008140546,
MCULE-2590701990,
NE49643,
FT-0752418,
EN300-60959,
A1-07552,
Z1262250811,
4-(isopropylsulfonylmethyl)benzenamine,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.295g/mol |
| Monoisotopic Mass | 213.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number