1-(4-bromophenethyl)piperazine - ≥95% , CAS No.142962-89-8

CAS: 142962-89-8 Cat. No.: T302864 Formula: C₁₂H₁₇BrN₂ Peso molecolare: 269.18 PubChem CID: 19020578

GRADE & PURITY ≥95%

Synonyms

1-(4-Bromophenethyl)piperazine | SB33604 | [2-(4-bromophenyl)ethyl]-piperazine | RNPHYPDEAQTYBD-UHFFFAOYSA-N | DTXSID40597449 | AKOS011777284 | A1-20328 | 1-[2-(4-Bromophenyl)ethyl]piperazine | 1-[2-(4-BROMO-PHENYL)-ETHYL]-PIPERAZINE | EN300-943595 | SCHE

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

1-(4-Bromophenethyl)piperazine | SB33604 | [2-(4-bromophenyl)ethyl]-piperazine | RNPHYPDEAQTYBD-UHFFFAOYSA-N | DTXSID40597449 | AKOS011777284 | A1-20328 | 1-[2-(4-Bromophenyl)ethyl]piperazine | 1-[2-(4-BROMO-PHENYL)-ETHYL]-PIPERAZINE | EN300-943595 | SCHE

Specifiche e purezza

≥95%

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

≥95%

Nomi e identificatori

Sorrisi canonici

C1CN(CCN1)CCC2=CC=C(C=C2)Br

IUPAC Name

1-[2-(4-bromophenyl)ethyl]piperazine

InChIKey

RNPHYPDEAQTYBD-UHFFFAOYSA-N

INCHI

1S/C12H17BrN2/c13-12-3-1-11(2-4-12)5-8-15-9-6-14-7-10-15/h1-4,14H,5-10H2

Isomeri SMILES

C1CN(CCN1)CCC2=CC=C(C=C2)Br

PubChem CID

19020578

Peso molecolare

269.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenethylamines
• Alternative Parents: N-alkylpiperazines Bromobenzenes Aralkylamines Aryl bromides Trialkylamines Dialkylamines Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenethylamine - Bromobenzene - Halobenzene - N-alkylpiperazine - Aralkylamine - Aryl bromide - Piperazine - Aryl halide - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Amine - Organobromide - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
• 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

• Sensibilità: air sensitive
• Peso molecolare: 269.180 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 268.058 Da
• Monoisotopic Mass: 268.058 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 172.000
• 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