AG00BCKB

21623-68-7 | 4-[(4-Methylpiperazine-1-)sulfonyl]aniline

AG00BCKB

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CAS Number	21623-68-7
Catalog Number	AG00BCKB(AGN-PC-0JT0HY)
Chemical Name	4-[(4-Methylpiperazine-1-)sulfonyl]aniline
IUPAC Name	4-(4-methylpiperazin-1-yl)sulfonylaniline
InChI	InChI=1S/C11H17N3O2S/c1-13-6-8-14(9-7-13)17(15,16)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChI Key	YEKKOBZSGMPECJ-UHFFFAOYSA-N
MDL Number	MFCD03050283
Molecular Formula	C11H17N3O2S
Molecular Weight	255.3366
SMILES	NC1=CC=C(S(=O)(N2CCN(C)CC2)=O)C=C1
Synonyms	21623-68-7, 4-(4-Methyl-piperazine-1-sulfonyl)-phenylamine, 4-[(4-methylpiperazin-1-yl)sulfonyl]aniline, 4-(4-methylpiperazine-1-sulfonyl)phenylamine, 4-[(4-Methyl-1-piperazinyl)sulfonyl]aniline, 4-((4-methylpiperazin-1-yl)sulfonyl)aniline, 4-[(4-methylpiperazine-1-)sulfonyl]aniline, YEKKOBZSGMPECJ-UHFFFAOYSA-N, 4-(4-methylpiperazin-1-yl)sulfonylaniline, 4-(4-methylpiperazin-1-ylsulfonyl)aniline, Benzenamine,4-[(4-methyl-1-piperazinyl)sulfonyl]-, 4-[(4-methylpiperazinyl)sulfonyl]phenylamine, MLS000103458, 4-(4'-Sulfanilyl)-1-methylpiperazine, 4-(4-Methylpiperazine-1-sulfonyl)aniline, AC1Q3ZXA, AC1Q6VJ9, Oprea1_271539, SCHEMBL160108, AC1LC051, ARONIS006206, IFLab1_006275, CHEMBL1898182, CTK4E7337, KS-00003YKF, DTXSID20340773, HMS1429N05, HMS2259K20, ALBB-002105, 7349AD, BBL012107, CS-086, MFCD03050283, SBB011996, STK126563, ZINC34867475, AKOS000118250, MCULE-6173262104, VP70233, 4-(4-methylpiperazin-1-sulfonyl)aniline, AJ-90273, BAS 06347884, SMR000015621, 4-((4-methylpiperazine-1)sulfonyl)aniline, AB0103693, DB-045643, TR-010149, FT-0638135, ST45042976, 1-(4-aminophenylsulfonyl)-4-methylpiperazine, EN300-13945, VU0152528-4, 1-Methyl-4-[4-aminobenzene]sulfonyl piperazine, Y-0018, 4-[(4-Methyl-1-piperazinyl)sulfonyl]aniline #, 4-[(4-methyl-1-piperazinyl)sulfonyl]phenylamine, 623M687, AN-329/42531714, I13-484, F1549-0049, C11H17N3O2S, AR-1F9237, CID567261, 3-(2-BROMOETHYL)TETRAHYDROTHIOPHENE 1,1-DIOXIDE, 4-(4-Methyl-piperazine-1-sulfonyl)-phenylamine, 98% - 1G 1g, 21743-62-4,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.104g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.336g/mol
Monoisotopic Mass	255.104g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number