1-(4-Bromophenyl)piperazine Hydrochloride - ≥98%(HPLC)(N) , CAS No.68104-62-1

CAS: 68104-62-1 Cat. No.: B151908 Summenformel: C₁₀H₁₃BrN₂·HCl Molekulargewicht: 277.59 EG-Nummer: 671-049-9 PubChem CID: 14422838

GRADE & PURITY ≥98%(HPLC)(N)

Synonyms

B3630 | DTXSID20560116 | YDVSFRZKQMQPJD-UHFFFAOYSA-N | Piperazine, 1-(4-bromophenyl)-, hydrochloride (1:1) | A15749 | J-503260 | 1-(4-Bromophenyl)piperazine hydrochloride | 1-(4-Bromo-phenyl)-piperazine hydrochloride | 1-(4-bromophenyl)-piperazine hydroch

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

B3630 | DTXSID20560116 | YDVSFRZKQMQPJD-UHFFFAOYSA-N | Piperazine, 1-(4-bromophenyl)-, hydrochloride (1:1) | A15749 | J-503260 | 1-(4-Bromophenyl)piperazine hydrochloride | 1-(4-Bromo-phenyl)-piperazine hydrochloride | 1-(4-bromophenyl)-piperazine hydroch

Spezifikationen & Reinheit

≥98%(HPLC)(N)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)(N)

Namen und Kennungen

Pubchem Sid

488198657

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488198657

Kanonisches Lächeln

C1CN(CCN1)C2=CC=C(C=C2)Br.Cl

IUPAC Name

1-(4-bromophenyl)piperazine;hydrochloride

InChIKey

YDVSFRZKQMQPJD-UHFFFAOYSA-N

INCHI

1S/C10H13BrN2.ClH/c11-9-1-3-10(4-2-9)13-7-5-12-6-8-13;/h1-4,12H,5-8H2;1H

Isomere SMILES

C1CN(CCN1)C2=CC=C(C=C2)Br.Cl

PubChem CID

14422838

Molekulargewicht

277.59

Reaxy-Rn

9431793

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Dialkylamines Azacyclic compounds Organopnictogen compounds Organobromides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Secondary aliphatic amine - Secondary amine - Organobromide - Organohalogen compound - Organic chloride salt - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Molekulargewicht: 277.590 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 276.003 Da
• Monoisotopic Mass: 276.003 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 14
• 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: 2

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