AG000A46

1139453-98-7 | 1-Piperazineacetamide, N,4-dimethyl-N-(4-nitrophenyl)-

AG000A46

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CAS Number	1139453-98-7
Catalog Number	AG000A46(AGN-PC-044CL9)
Chemical Name	1-Piperazineacetamide, N,4-dimethyl-N-(4-nitrophenyl)-
IUPAC Name	N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
InChI	InChI=1S/C14H20N4O3/c1-15-7-9-17(10-8-15)11-14(19)16(2)12-3-5-13(6-4-12)18(20)21/h3-6H,7-11H2,1-2H3
InChI Key	LSQRHFSGOUDQDS-UHFFFAOYSA-N
MDL Number	MFCD18207135
Molecular Formula	C14H20N4O3
Molecular Weight	292.3336
SMILES	O=C(N(C)C1=CC=C([N+]([O-])=O)C=C1)CN2CCN(C)CC2
Synonyms	1139453-98-7, N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide, N,4-Dimethyl-N-(4-nitrophenyl)-1-piperazineacetamide, SCHEMBL1361808, SCHEMBL13808932, DTXSID00634602, LSQRHFSGOUDQDS-UHFFFAOYSA-N, BCP18516, MFCD18207135, ZINC85577612, AKOS024262403, QC-1091, AC-25013, AK158232, AS-30107, DA-47790, AJ-127843, CS-0005890, FT-0707700, 1-Piperazineacetamide, N,4-dimethyl-N-(4-nitrophenyl)-, N-Methyl-2-(4-methylpiperazin-1-yl)-N-(4-nitrophenyl) acetamide, ACN-036775,

Complexity	369
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	292.154g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	292.339g/mol
Monoisotopic Mass	292.154g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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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