2-(4-(4-Aminophenyl)piperazin-1-yl)ethanol - ≥97% , CAS No.5521-39-1

CAS: 5521-39-1 Cat. No.: A193888 Molecular Weight: 221.3 EC Number: 664-141-5

GRADE & PURITY ≥97%

Synonyms

2-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanol | 2-[4-(4-aminophenyl)piperazin-1-yl]ethanol | 2-(4-(4-aminophenyl)piperazin-1-yl)ethan-1-ol | A870255 | 2-[4-(4-Amino-phenyl)-piperazin-1-yl]ethanol | 2-(4-(4-Aminophenyl)piperazin-1-yl)ethanol | 2-[4-(4-Amin

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-[4-(4-Amino-phenyl)-piperazin-1-yl]-ethanol | 2-[4-(4-aminophenyl)piperazin-1-yl]ethanol | 2-(4-(4-aminophenyl)piperazin-1-yl)ethan-1-ol | A870255 | 2-[4-(4-Amino-phenyl)-piperazin-1-yl]ethanol | 2-(4-(4-Aminophenyl)piperazin-1-yl)ethanol | 2-[4-(4-Amin

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504760117
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760117
• Canonical Smiles: C1CN(CCN1CCO)C2=CC=C(C=C2)N
• IUPAC Name: 2-[4-(4-aminophenyl)piperazin-1-yl]ethanol
• InChIKey: HCDBHFCQLBZAAZ-UHFFFAOYSA-N
• INCHI: 1S/C12H19N3O/c13-11-1-3-12(4-2-11)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10,13H2
• Isomeric SMILES: C1CN(CCN1CCO)C2=CC=C(C=C2)N
• Molecular Weight: 221.3
• Reaxy-Rn: 792125
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=792125&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 Dialkylarylamines Aniline and substituted anilines N-alkylpiperazines Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - N-alkylpiperazine - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Tertiary amine - Tertiary aliphatic amine - Alkanolamine - Azacycle - Alcohol - Organopnictogen compound - Primary amine - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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

• Molecular Weight: 221.300 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.153 Da
• Monoisotopic Mass: 221.153 Da
• Topological Polar Surface Area: 52.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 196.000
• 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