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N-Methyl-4-(methylsulfonyl)aniline Hydrochloride

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

Technical Data

Patents

Computed Properties

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

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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