4,4'-(Piperazine-1,4-diyl)dianiline - ≥98% , CAS No.7479-12-1

CAS: 7479-12-1 Cat. No.: P1349435 Molecular Weight: 268.36 EC Number: 985-276-9 PubChem CID: 344596

GRADE & PURITY ≥98%

Synonyms

1,4-Bis(4-aminophenyl)piperazine | 4-[4-(4-Aminophenyl)-1-piperazinyl]aniline

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1, 4-Bis(4-aminophenyl)piperazine | 4-[4-(4-Aminophenyl)-1-piperazinyl]aniline

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• IUPAC Name: 4-[4-(4-aminophenyl)piperazin-1-yl]aniline
• InChIKey: NRHZAVJNUJCQRL-UHFFFAOYSA-N
• INCHI: 1S/C16H20N4/c17-13-1-5-15(6-2-13)19-9-11-20(12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12,17-18H2
• Isomeric SMILES: C1CN(CCN1C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
• PubChem CID: 344596
• Molecular Weight: 268.36

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: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

• Sensitivity: Air sensitive,Light sensitive
• Molecular Weight: 268.360 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 268.169 Da
• Monoisotopic Mass: 268.169 Da
• Topological Polar Surface Area: 58.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 255.000
• 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