N-[α-(4-Methylphenyl)sulfonyl)benzyl]diphenylphosphinic amide - CAS 701291-86-3
Catalog: |
BB034081 |
Product Name: |
N-[α-(4-Methylphenyl)sulfonyl)benzyl]diphenylphosphinic amide |
CAS: |
701291-86-3 |
Synonyms: |
N-diphenylphosphoryl-1-(4-methylphenyl)sulfonyl-1-phenylmethanamine |
IUPAC Name: | N-diphenylphosphoryl-1-(4-methylphenyl)sulfonyl-1-phenylmethanamine |
Description: | N-[α-(4-Methylphenyl)sulfonyl)benzyl]diphenylphosphinic amide (CAS# 701291-86-3) is a useful reagent for the synthesis of organic intermediates. |
Molecular Weight: | 461.51 |
Molecular Formula: | C26H24NO3PS |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=CC=C2)NP(=O)(C3=CC=CC=C3)C4=CC=CC=C4 |
InChI: | InChI=1S/C26H24NO3PS/c1-21-17-19-25(20-18-21)32(29,30)26(22-11-5-2-6-12-22)27-31(28,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26H,1H3,(H,27,28) |
InChI Key: | PNTGCTVNEJGLKY-UHFFFAOYSA-N |
LogP: | 6.45790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 701 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 461.1214518 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 461.1214518 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 71.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.2 |
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