| CAS Number | 1017431-08-1 |
| Catalog Number | AG00949D(AGN-PC-0WRA9Q) |
| Chemical Name | 3-Amino-N-cyclopropyl-4-methylbenzenesulfonamide |
| IUPAC Name | 3-amino-N-cyclopropyl-4-methylbenzenesulfonamide |
| InChI | InChI=1S/C10H14N2O2S/c1-7-2-5-9(6-10(7)11)15(13,14)12-8-3-4-8/h2,5-6,8,12H,3-4,11H2,1H3 |
| InChI Key | UQONABORAOZZCR-UHFFFAOYSA-N |
| MDL Number | MFCD09900776 |
| Molecular Formula | C10H14N2O2S |
| Molecular Weight | 226.2954 |
| SMILES | CC1=C(N)C=C(S(NC2CC2)(=O)=O)C=C1 |
| Synonyms | 3-amino-N-cyclopropyl-4-methylbenzenesulfonamide,
1017431-08-1,
3-amino-N-cyclopropyl-4-methylbenzene-1-sulfonamide,
ZINC11736954,
AKOS009228681,
MCULE-3180569376,
CJ-13671,
Z6391,
EN300-82207,
Z1695922832,
C10H14N2O2S,
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| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.294g/mol |
| Monoisotopic Mass | 226.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number