N-(tert-Butoxycarbonyl)-p-toluenesulfonamide - CAS 18303-04-3
Catalog: |
BB014031 |
Product Name: |
N-(tert-Butoxycarbonyl)-p-toluenesulfonamide |
CAS: |
18303-04-3 |
Synonyms: |
tert-butyl N-(4-methylphenyl)sulfonylcarbamate |
IUPAC Name: | tert-butyl N-(4-methylphenyl)sulfonylcarbamate |
Description: | N-(tert-Butoxycarbonyl)-p-toluenesulfonamide (CAS# 18303-04-3) is a useful research chemical. |
Molecular Weight: | 271.33 |
Molecular Formula: | C12H17NO4S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H17NO4S/c1-9-5-7-10(8-6-9)18(15,16)13-11(14)17-12(2,3)4/h5-8H,1-4H3,(H,13,14) |
InChI Key: | DUTLOVSBVBGNDM-UHFFFAOYSA-N |
Melting Point: | 121-123 °C (lit.) |
Purity: | > 98.0 % (T) |
Density: | 1.201 g/cm3 |
Appearance: | White powder, crystals, or solid |
MDL: | MFCD00134267 |
LogP: | 3.68010 |
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Complexity: | 383 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.0878292 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.0878292 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 80.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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