AG000SNL

1263378-01-3 | N-Methyl-4-(methylsulfonyl)aniline, HCl

AG000SNL

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CAS Number	1263378-01-3
Catalog Number	AG000SNL(AGN-PC-0WAENE)
Chemical Name	N-Methyl-4-(methylsulfonyl)aniline, HCl
IUPAC Name	N-methyl-4-methylsulfonylaniline;hydrochloride
InChI	InChI=1S/C8H11NO2S.ClH/c1-9-7-3-5-8(6-4-7)12(2,10)11;/h3-6,9H,1-2H3;1H
InChI Key	JLMAKOFZASQMNU-UHFFFAOYSA-N
MDL Number	MFCD18157693
Molecular Formula	C8H12ClNO2S
Molecular Weight	221.7044
SMILES	O=S(C1=CC=C(C=C1)NC)(C)=O.[H]Cl
Synonyms	N-Methyl-4-(methylsulfonyl)aniline hydrochloride, 1263378-01-3, AK-39565, 4-methanesulfonyl-N-methylaniline hydrochloride, N-METHYL-4-(METHYLSULFONYL)ANILINE HCL, (4-Methanesulfonyl-phenyl)-methyl-amine hydrochloride, CTK8B6786, KS-00000OOW, DTXSID00719221, ANW-54346, MFCD18157693, AKOS015920373, AS-30568, BR-39565, N-Methyl-4-(methylsulfonyl)aniline, HCl, AX8212226, TC-143091, 4CH-010395, ST24025664, X9671, N-methyl-4-methylsulfonylaniline;hydrochloride, S-5460, 4-(Methanesulfonyl)-N-methylaniline--hydrogen chloride (1/1), Benzenamine, N-methyl-4-(methylsulfonyl)-, hydrochloride (1:1), C8H12ClNO2S, N-Methyl-4-(methylsulfonyl)anilinehydrochloride, 119871-25-9,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.028g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.699g/mol
Monoisotopic Mass	221.028g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	54.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number