(1R,4R)-tert-Butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate - ≥97% , CAS No.134003-84-2

CAS: 134003-84-2 Cat. No.: I167017 Peso molecular: 198.26 Número EC: 800-374-2

GRADE & PURITY ≥97%

Synonyms

DS-4518 | (1R,4R)-tert-Butyl2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | EN300-269059 | tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride | MFCD01321293 | BBL102973 | 1,1-dimethylethyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DS-4518 | (1R, 4R)-tert-Butyl2, 5-diazabicyclo[2.2.1]heptane-2-carboxylate | EN300-269059 | tert-butyl 2, 5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride | MFCD01321293 | BBL102973 | 1, 1-dimethylethyl (1R, 4R)-2, 5-diazabicyclo[2.2.1]heptane-2-carboxy

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504766793
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766793
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC2CC1CN2
• IUPAC Name: tert-butyl (1R,4R)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
• InChIKey: UXAWXZDXVOYLII-HTQZYQBOSA-N
• INCHI: 1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2
• WGK Alemania: 3
• Peso molecular: 198.26
• Reaxy-Rn: 8312455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8312455&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: Pyrrolidine carboxylic acids Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Piperazine-1-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Secondary aliphatic amine - Secondary amine - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Aliphatic heteropolycyclic 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: 198.260 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 198.137 Da
• Monoisotopic Mass: 198.137 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 247.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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