1-(3-Bromophenyl)piperazine - ≥98% , CAS No.31197-30-5

CAS: 31197-30-5 Cat. No.: B192664 Formula: C₁₀H₁₃BrN₂ Peso molecolare: 241.13 Numero EC: 673-029-5

GRADE & PURITY ≥98%

Synonyms

1-(3-Bromophenyl)piperazine | 1-(3-Bromo-phenyl)-piperazine | 1-(3-bromophenyl)-piperazine | A5655 | 1-(3-bromophenyl) piperazine | 1-(3-bromo phenyl)piperazine | AB90743 | Piperazine, 1-(3-bromophenyl)- | 1-(3-bromophenyl)piperazine, AldrichCPR | BP-2130

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-(3-Bromophenyl)piperazine | 1-(3-Bromo-phenyl)-piperazine | 1-(3-bromophenyl)-piperazine | A5655 | 1-(3-bromophenyl) piperazine | 1-(3-bromo phenyl)piperazine | AB90743 | Piperazine, 1-(3-bromophenyl)- | 1-(3-bromophenyl)piperazine, AldrichCPR | BP-2130

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504761500

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761500

Sorrisi canonici

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

IUPAC Name

1-(3-bromophenyl)piperazine

InChIKey

DOYNABJKDZARLF-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

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

Peso molecolare

241.13

Reaxy-Rn

610722

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610722&ln=

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 Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - 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: 241.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.026 Da
• Monoisotopic Mass: 240.026 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 13
• 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: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 31197-30-5, the molecular formula is C10H13BrN2, and the molecular weight is 241.13 g/mol. InChIKey DOYNABJKDZARLF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.