| CAS Number | 1373233-47-6 |
| Catalog Number | AG001359(AGN-PC-0WAF3A) |
| Chemical Name | t-Butyl N-[3-(propane-1-sulfonyl)phenyl]carbamate |
| IUPAC Name | tert-butyl N-(3-propylsulfonylphenyl)carbamate |
| InChI | InChI=1S/C14H21NO4S/c1-5-9-20(17,18)12-8-6-7-11(10-12)15-13(16)19-14(2,3)4/h6-8,10H,5,9H2,1-4H3,(H,15,16) |
| InChI Key | YABQZKGJXREIFR-UHFFFAOYSA-N |
| MDL Number | MFCD22192555 |
| Molecular Formula | C14H21NO4S |
| Molecular Weight | 299.3858 |
| SMILES | CCCS(=O)(=O)c1cccc(c1)NC(=O)OC(C)(C)C |
| Synonyms | t-Butyl N-[3-(propane-1-sulfonyl)phenyl]carbamate,
1373233-47-6,
ACMC-209cca,
tert-Butyl [3-(propane-1-sulfonyl)phenyl]carbamate,
CTK8B0632,
DTXSID90742967,
ANW-20264,
MFCD22192555,
ZINC85477193,
TC-109009,
V2719,
K-4421,
Carbamic acid, N-[3-(propylsulfonyl)phenyl]-, 1,1-dimethylethyl ester,
C14H21NO4S,
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| Complexity | 419 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.385g/mol |
| Monoisotopic Mass | 299.119g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number