| CAS Number | 1375068-98-6 |
| Catalog Number | AG009X83(AGN-PC-0WA7VI) |
| Chemical Name | 3-[(3-Methylbutane)sulfonyl]aniline |
| IUPAC Name | 3-(3-methylbutylsulfonyl)aniline |
| InChI | InChI=1S/C11H17NO2S/c1-9(2)6-7-15(13,14)11-5-3-4-10(12)8-11/h3-5,8-9H,6-7,12H2,1-2H3 |
| InChI Key | BPPLBTGXTYNCCN-UHFFFAOYSA-N |
| MDL Number | MFCD22205835 |
| Molecular Formula | C11H17NO2S |
| Molecular Weight | 227.3232 |
| SMILES | CC(CCS(=O)(=O)c1cccc(c1)N)C |
| Synonyms | 3-[(3-Methylbutane)sulfonyl]aniline,
1375068-98-6,
KM5575,
MFCD22205835,
ZINC88063562,
AKOS019751712,
3-(3-METHYLBUTANESULFONYL)ANILINE,
V2748,
C11H17NO2S,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.322g/mol |
| Monoisotopic Mass | 227.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number