AG002NEN

23491-48-7 | 5-(4-Methylpiperazin-1-yl)-2-nitroaniline

AG002NEN

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CAS Number	23491-48-7
Catalog Number	AG002NEN(AGN-PC-0KKNNS)
Chemical Name	5-(4-Methylpiperazin-1-yl)-2-nitroaniline
IUPAC Name	5-(4-methylpiperazin-1-yl)-2-nitroaniline
InChI	InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
InChI Key	MWLBMGPQZJDFKZ-UHFFFAOYSA-N
MDL Number	MFCD00545964
Molecular Formula	C11H16N4O2
Molecular Weight	236.2703
SMILES	NC1=CC(N2CCN(C)CC2)=CC=C1[N+]([O-])=O
Synonyms	23491-48-7, 5-(4-methylpiperazin-1-yl)-2-nitroaniline, 5-(4-Methylpiperazin-1-yl)-2-nitrophenylamine, 5-(4-methylpiperazino)-2-nitroaniline, 5-(4-Methyl-piperazin-1-yl)-2-nitro-phenylamine, 5-(4-methylpiperazin-1-yl)-2-nitrobenzenamine, AK-22014, 5-(4-Methyl-1-piperazinyl)-2-nitroaniline, 5-(4-Methyl-piperazin-1-yl)-2-nitroaniline, 1-{3-amino-4-nitrophenyl}-4-methylpiperazine, 5-(4-methylpiperazinyl)-2-nitrophenylamine, ZERO/006284, PubChem13001, AC1MC1RP, methylpiperazinonitroaniline, Oprea1_384504, SCHEMBL77148, benzenamine, 5-(4-methyl-1-piperazinyl)-2-nitro-, MLS000561761, Jsp004712, CHEMBL1370863, CTK4F1572, DTXSID20374997, MWLBMGPQZJDFKZ-UHFFFAOYSA-N, HMS2526H24, ACT07656, ALBB-024876, CS-M3609, KS-00000J4O, ZINC3877863, ZX-AH008215, ZX-AN023390, ZX-AT015070, ANW-51009, CL1614, CM-760, MFCD00545964, RW3433, SBB014001, STK057070, AKOS000423586, AC-3594, AN-3684, MCULE-9506582426, OR13864, QC-2175, RP13577, VZ29934, ABA-10100615, AJ-46501, BAS 00253707, BP-10025, BR-22014, CC-20757, EN002550, SC-54413, SMR000174167, ST006459, SY007570, TZ000569, AB0005841, AX8019548, DB-006916, TC-030206, TL8006976, 4CH-009751, A4919, AM20060989, FT-0638329, ST24029281, V0672, 5-(4-methylpiperazin-1-yl)-2-nitro-aniline, MFCD00545964 (97%), C-4121, M90114, 5-(4-methylpiperazin-1-yl) -2-nitrobenzenamine, AB00074319-01, 491M487, AG-690/33045044, Benzenamine,5-(4-methyl-1-piperazinyl)-2-nitro-, C-13990, 12R-0229, I01-2533, J-516268, A4141/0176472, 5- -2-nitroaniline, C11H16N4O2, CID2760034, 5-(4-Methylpiperazino)-2-nitroaniline, 95% - 1G 1g,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.127g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.275g/mol
Monoisotopic Mass	236.127g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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