N-Methyl-4-(methylsulfonyl)aniline Hydrochloride - CAS 119871-25-9
Catalog: |
BB004675 |
Product Name: |
N-Methyl-4-(methylsulfonyl)aniline Hydrochloride |
CAS: |
119871-25-9 |
Synonyms: |
N-methyl-4-methylsulfonylaniline; N-methyl-4-methylsulfonylaniline |
IUPAC Name: | N-methyl-4-methylsulfonylaniline |
Description: | N-Methyl-4-(methylsulfonyl)aniline Hydrochloride (CAS# 119871-25-9) is a useful research chemical. |
Molecular Weight: | 221.70 |
Molecular Formula: | C8H12ClNO2S |
Canonical SMILES: | CNC1=CC=C(C=C1)S(=O)(=O)C |
InChI: | InChI=1S/C8H11NO2S/c1-9-7-3-5-8(6-4-7)12(2,10)11/h3-6,9H,1-2H3 |
InChI Key: | RQEYQVCVGXCQQN-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.28560 |
Publication Number | Title | Priority Date |
CN-109420525-A | The method of the metal iridium catalyst and its synthesis N- methylation primary amine of 2,2 '-bisbenzimidazole ligands | 20170821 |
CN-109420525-B | Metal iridium catalyst of 2, 2' -bis-benzimidazole ligand and method for synthesizing N-methylated primary amine by using metal iridium catalyst | 20170821 |
CN-109206346-A | Tertiary amine analog derivative or its salt and its preparation method and application | 20170701 |
CN-108863850-A | Biaryl base class compound and its preparation method and application | 20170209 |
WO-2018145653-A1 | Biaryl compound, preparation method and use therefor | 20170209 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.05104977 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.05104977 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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