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N， N-Dimethyl-5-(piperazin-1-ylsulfonyl)naphthalen-1-amine - ≥97%, high purity , CAS No.86516-36-1

COA

Grade & Purity:

≥97%

Cas Number: 86516-36-1
Molecular Weight: 319.42
PubChem CID: 11738697

In stock

Item Number

N726227

Grouped product items
SKU	Size	Availability	Price
N726227-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$93.90
N726227-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$138.90
N726227-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$353.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes
    - Subclass Naphthalene sulfonic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Naphthalene sulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	1-naphthalene sulfonic acids and derivatives
Alternative Parents	1-naphthalene sulfonamides Dialkylarylamines Piperazines Organosulfonamides Sulfonyls Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Secondary amine - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
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	N,N-dimethyl-5-piperazin-1-ylsulfonylnaphthalen-1-amine
INCHI	InChI=1S/C16H21N3O2S/c1-18(2)15-7-3-6-14-13(15)5-4-8-16(14)22(20,21)19-11-9-17-10-12-19/h3-8,17H,9-12H2,1-2H3
InChIKey	NRTFFCBHBQNURK-UHFFFAOYSA-N
Smiles	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCNCC3
Isomeric SMILES	CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCNCC3
PubChem CID	11738697
Molecular Weight	319.42

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	130-135° C
Molecular Weight	319.400 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	319.135 Da
Monoisotopic Mass	319.135 Da
Topological Polar Surface Area	61.000 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	468.000
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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