Benzyl 4-(4-bromophenyl)piperazine-1-carboxylate - ≥98% , CAS No.1150271-33-2

CAS: 1150271-33-2 Cat. No.: B179656 Peso molecular: 375.3

GRADE & PURITY ≥98%

Synonyms

FT-0757996 | BENZYL4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE | EN300-7366238 | A893998 | 1150271-33-2 | AWB27133 | BENZYL 4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE | SCHEMBL975238 | MFCD12026064 | AOCMGNPEKPFTEC-UHFFFAOYSA-N | BS-19415 | E71463 | 4-(4-bro

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0757996 | BENZYL4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE | EN300-7366238 | A893998 | 1150271-33-2 | AWB27133 | BENZYL 4-(4-BROMOPHENYL)PIPERAZINE-1-CARBOXYLATE | SCHEMBL975238 | MFCD12026064 | AOCMGNPEKPFTEC-UHFFFAOYSA-N | BS-19415 | E71463 | 4-(4-bro

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
• IUPAC Name: benzyl 4-(4-bromophenyl)piperazine-1-carboxylate
• InChIKey: AOCMGNPEKPFTEC-UHFFFAOYSA-N
• INCHI: 1S/C18H19BrN2O2/c19-16-6-8-17(9-7-16)20-10-12-21(13-11-20)18(22)23-14-15-4-2-1-3-5-15/h1-9H,10-14H2
• Isómeros SMILES: C1CN(CCN1C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3
• Peso molecular: 375.3
• Reaxy-Rn: 20982203
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20982203&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 Benzyloxycarbonyls Piperazine carboxylic acids Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Carbamate esters Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Benzyloxycarbonyl - Piperazine-1-carboxylic acid - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Tertiary amine - Azacycle - Amine - Organobromide - Organohalogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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

Propiedades químicas y físicas

• Peso molecular: 375.300 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 374.063 Da
• Monoisotopic Mass: 374.063 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 371.000
• 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