1-(3-Bromophenyl)piperazine Hydrochloride - ≥98% , CAS No.796856-45-6

CAS: 796856-45-6 Cat. No.: B337652 Formula: C₁₀H₁₄BrClN₂ Peso molecolare: 277.59 Numero EC: 691-291-9 PubChem CID: 12227893

GRADE & PURITY ≥98%

Synonyms

1-(m-Bromophenyl)piperazine Hydrochloride | SCHEMBL4661519 | EN300-206595 | 1-(3-Bromophenyl)piperazine*hcl | AS-44198 | FT-0663846 | 1-(3-Bromophenyl)piperazine hydrochloride | 1-(3-BROMOPHENYL)PIPERAZINE HCL | 1-(3-bromophenyl)piperazine;hydrochloride |

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

1-(3-Bromophenyl)piperazine is a m-bromo substituted 1-phenylpiperazine derivative that showed inhibition of serotonin-3H binding to rat brain membranes in vitro.

Specifications

Sinonimi

1-(m-Bromophenyl)piperazine Hydrochloride | SCHEMBL4661519 | EN300-206595 | 1-(3-Bromophenyl)piperazine*hcl | AS-44198 | FT-0663846 | 1-(3-Bromophenyl)piperazine hydrochloride | 1-(3-BROMOPHENYL)PIPERAZINE HCL | 1-(3-bromophenyl)piperazine;hydrochloride |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504766998

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766998

Sorrisi canonici

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

IUPAC Name

1-(3-bromophenyl)piperazine;hydrochloride

InChIKey

INFIKWJCWNZVSH-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

PubChem CID

12227893

Peso molecolare

277.59

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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 Organobromides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrochloride - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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: 157.000
• 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

XLogP3