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(4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone - 95%, high purity , CAS No.21091-98-5

COA

Grade & Purity:

≥95%

Cas Number: 21091-98-5
Molecular Weight: 249.27
PubChem CID: 716396

In stock

Item Number

M192020

Grouped product items
SKU	Size	Availability	Price	Qty
M192020-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
M192020-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90

Discover (4-Methylpiperazin-1-yl)(4-nitrophenyl)methanone by Aladdin Scientific in 95% for only $15.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(4-methylpiperazin-1-yl)(4-nitrophenyl)methanone \| 21091-98-5 \| (4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone \| Methanone, (4-methyl-1-piperazinyl)(4-nitrophenyl)- \| 1-methyl-4-[(4-nitrophenyl)carbonyl]piperazine \| MFCD00585638 \| 1-Methyl-4-(4-nitrobenzoyl)pipera
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Benzamides Nitroaromatic compounds Benzoyl derivatives N-methylpiperazines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Organic nitro compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxoazanium - Carboxylic acid derivative - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(4-methylpiperazin-1-yl)-(4-nitrophenyl)methanone
INCHI	InChI=1S/C12H15N3O3/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(5-3-10)15(17)18/h2-5H,6-9H2,1H3
InChIKey	UMRXCSPRJVBXHH-UHFFFAOYSA-N
Smiles	CN1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Isomeric SMILES	CN1CCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Molecular Weight	249.27
Reaxy-Rn	810323
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=810323&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	249.270 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	249.111 Da
Monoisotopic Mass	249.111 Da
Topological Polar Surface Area	69.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	313.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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