1-Phenylpiperazine - ≥97% , CAS No.92-54-6

CAS: 92-54-6 Cat. No.: P101918 Peso molecular: 162.23 Beilstein Registry Number: 132157 Número EC: 202-165-6

GRADE & PURITY ≥97%

Synonyms

4-phenylpiperizine | LF-0549 | EINECS 202-165-6 | BBL027548 | NCGC00253765-01 | DTXSID8057855 | Piperazine, 1-phenyl-, dihydrochloride | Q-100891 | N-phenyl piperazin | N-phenylpyperazine | AB00546 | 1-phenyl piperazine | BDBM50001898 | n-phenyl piperazin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-phenylpiperizine | LF-0549 | EINECS 202-165-6 | BBL027548 | NCGC00253765-01 | DTXSID8057855 | Piperazine, 1-phenyl-, dihydrochloride | Q-100891 | N-phenyl piperazin | N-phenylpyperazine | AB00546 | 1-phenyl piperazine | BDBM50001898 | n-phenyl piperazin

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1)C2=CC=CC=C2
• IUPAC Name: 1-phenylpiperazine
• InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-N
• INCHI: 1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2
• Isómeros SMILES: C1CN(CCN1)C2=CC=CC=C2
• WGK Alemania: 3
• RTECS: TM2625000
• Número ONU: 2922
• Peso molecular: 162.23
• Beilstein: 132157
• Reaxy-Rn: 132157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=132157&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Dialkylarylamines Aniline and substituted anilines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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HTR1B Tclin Serotonin 1b (5-HT1b) receptor (2801 Activities)

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Objetivos asociados (no humanos)

Sigmar1 Sigma opioid receptor (160 Activities)

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Aspergillus niger (16508 Activities)

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Penicillium chrysogenum (1593 Activities)

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Aspergillus fumigatus (16427 Activities)

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Candida albicans (78123 Activities)

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Nakaseomyces glabratus (9108 Activities)

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Fusarium oxysporum (3998 Activities)

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Rattus norvegicus (775804 Activities)

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Aspergillus terreus (892 Activities)

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Sporobolomyces salmonicolor (103 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

Discover Target: Adra1b

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Htr2b Serotonin 2 (5-HT2) receptor (2078 Activities)

Discover Target: Htr2b

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Htr3a Serotonin 3 (5-HT3) receptor (1834 Activities)

Discover Target: Htr3a

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water; Soluble in Ether,Alcohol
• Sensibilidad: Air Sensitive
• Punto de congelación (°C): 18 °C
• Índice de refracción: 1.588
• Punto de inflamación (°F): 284 °F
• Punto de inflamación (°C): 141°(286°F)
• Punto de ebullición (°C): 286°C
• Punto de fusión (°C): 17-19°C
• Peso molecular: 162.230 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.116 Da
• Monoisotopic Mass: 162.116 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 124.000
• 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

Referencias

1. Lixiao Chen, Jie Gao, Qi Wu, Hui Li, Shuqing Dong, Xiaofeng Shi, Liang Zhao.  (2019)  Preparation and performance of a novel multi-mode COF-300@SiO2 chromatographic stationary phase.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2019.04.002]

2. Zenghui Xie, Jiana Lin, Yuling Hu, Gongke Li, Qisheng Zhong.  (2024)  Rapid construction of double macrocycles, hierarchical covalent organic framework with size-sieving and host-guest recognition for selective adsorption and targeted analysis of mycotoxins in cereals.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.152464]

3. Shaolan Wang, Jinsheng Lin, Dan Li, Tianpei Huang, Wenquan Zhu, Wenbin Chen, Min Li, Weiyang Shen.  (2021)  Study of the isomeric Maillard degradants, glycosylamine and Amadori rearrangement products, and their differentiation via MS2 fingerprinting from collision-induced decomposition of protonated ions.  RAPID COMMUNICATIONS IN MASS SPECTROMETRY,  35  (9): (e9062).  [PMID:33533047] [10.1002/rcm.9062]