1,4-Di-tert-butyl piperazine-1,4-dicarboxylate - ≥98% , CAS No.76535-75-6

CAS: 76535-75-6 Cat. No.: D186488 Peso molecular: 286.4 Número EC: 880-258-6

GRADE & PURITY ≥98%

Synonyms

STK120598 | AN-329/40248586 | AS-11494 | SR-01000320078 | 1,4-Bis(tert-butoxycarbonyl)piperazine | ditert-butyl piperazine-1,4-dicarboxylate | DTXSID10337995 | Di(tert-butyl) 1,4-piperazinedicarboxylate # | SCHEMBL18294 | MFCD01435774 | AB6977 | di-tert-b

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

STK120598 | AN-329/40248586 | AS-11494 | SR-01000320078 | 1, 4-Bis(tert-butoxycarbonyl)piperazine | ditert-butyl piperazine-1, 4-dicarboxylate | DTXSID10337995 | Di(tert-butyl) 1, 4-piperazinedicarboxylate # | SCHEMBL18294 | MFCD01435774 | AB6977 | di-tert-b

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759196
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759196
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
• IUPAC Name: ditert-butyl piperazine-1,4-dicarboxylate
• InChIKey: YROXEBCFDJQGOH-UHFFFAOYSA-N
• INCHI: 1S/C14H26N2O4/c1-13(2,3)19-11(17)15-7-9-16(10-8-15)12(18)20-14(4,5)6/h7-10H2,1-6H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
• Peso molecular: 286.4
• Reaxy-Rn: 4260575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4260575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxylic acids
• Alternative Parents: Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-carboxylic acid - Carbamic acid ester - Carbonic acid derivative - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
• 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: 286.370 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 286.189 Da
• Monoisotopic Mass: 286.189 Da
• Topological Polar Surface Area: 59.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 324.000
• 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