1-(4-Hydroxyphenyl)piperazine - ≥98% , CAS No.56621-48-8

CAS: 56621-48-8 Cat. No.: H134059 Molecular Weight: 178.24 Beilstein Registry Number: 23(5)2,24 EC Number: 260-289-6

GRADE & PURITY ≥98%

Synonyms

4-(1-piperazino)phenol | GPEOAEVZTOQXLG-UHFFFAOYSA-N | AC-8984 | FT-0629230 | STK585941 | 4-(piperazin-1-yl)phenol | 4-(piperazin-1-yl)-phenol | A2SA24RA7S | 1-(4-Hydroxyphenyl)piperazine | 1-(4-Hydroxyphenyl)-piperazine | 4-hydroxy phenylpiperazine | 4-p

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(1-piperazino)phenol | GPEOAEVZTOQXLG-UHFFFAOYSA-N | AC-8984 | FT-0629230 | STK585941 | 4-(piperazin-1-yl)phenol | 4-(piperazin-1-yl)-phenol | A2SA24RA7S | 1-(4-Hydroxyphenyl)piperazine | 1-(4-Hydroxyphenyl)-piperazine | 4-hydroxy phenylpiperazine | 4-p

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1)C2=CC=C(C=C2)O
• IUPAC Name: 4-piperazin-1-ylphenol
• InChIKey: GPEOAEVZTOQXLG-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
• Isomeric SMILES: C1CN(CCN1)C2=CC=C(C=C2)O
• WGK Germany: 3
• Molecular Weight: 178.24
• Beilstein: 23(5)2,24
• Reaxy-Rn: 150964
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150964&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: Phenylpiperazines
• Alternative Parents: N-arylpiperazines p-Aminophenols Dialkylarylamines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminophenol - P-aminophenol - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - 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
• Melt Point(°C): 223 °C
• Molecular Weight: 178.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 178.111 Da
• Monoisotopic Mass: 178.111 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 149.000
• 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