DBD-PZ [=4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1,3-benzoxadiazole] [for HPLC Labeling] - ≥98%(HPLC) , CAS No.139332-64-2

CAS: 139332-64-2 Cat. No.: D155229 Molecular Weight: 311.36 EC Number: 635-066-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

7-(1-Piperazinyl)-N,N-dimethyl-4-benzofurazan sulfonamide | 4-Benzofurazansulfonamide, N,N-dimethyl-7-(1-piperazinyl)- | AKOS030530734 | D95250 | 4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan | DBD-PZ [=4-(N,N-Dimethylaminosulfonyl)-7-piperazino-2,1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

7-(1-Piperazinyl)-N, N-dimethyl-4-benzofurazan sulfonamide | 4-Benzofurazansulfonamide, N, N-dimethyl-7-(1-piperazinyl)- | AKOS030530734 | D95250 | 4-(N, N-Dimethylsulfamoyl)-7-piperazino-benzofurazan | DBD-PZ [=4-(N, N-Dimethylaminosulfonyl)-7-piperazino-2, 1

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488187813
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187813
• Canonical Smiles: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3
• IUPAC Name: N,N-dimethyl-7-piperazin-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
• InChIKey: XFQLOSBBYVMBGT-UHFFFAOYSA-N
• INCHI: 1S/C12H17N5O3S/c1-16(2)21(18,19)10-4-3-9(11-12(10)15-20-14-11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3
• Isomeric SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCNCC3
• Molecular Weight: 311.36
• Reaxy-Rn: 19710060
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19710060&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzoxadiazoles Dialkylarylamines Organosulfonamides Benzenoids Heteroaromatic compounds Furazans Aminosulfonyl compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Benzoxadiazole - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Organosulfonic acid amide - Benzenoid - Azole - Furazan - Oxadiazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Melt Point(°C): 123 °C
• Molecular Weight: 311.360 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 311.105 Da
• Monoisotopic Mass: 311.105 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 460.000
• 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