(1R,5R)-3,6-diazabiciclo[3.2.0]heptano-3-carboxilato de terc-butilo - ≥97% , CAS No.1419075-97-0

CAS: 1419075-97-0 Cat. No.: T174081 Peso molecular: 198.26

GRADE & PURITY ≥97%

Synonyms

tert-butyl (1R,5R)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate | 3,6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester, (1R,5R)- | A885379 | PB36371 | P13815 | 1419075-97-0 | (1R,5R)-3-Boc-3,6-diazabicyclo[3.2.0]heptane | (1R,5R)-3-Bo

Storage

Temperatura ambiente

Shipped In

Wet ice

Specifications

Sinónimos

tert-butyl (1R, 5R)-3, 6-diazabicyclo[3.2.0]heptane-3-carboxylate | 3, 6-Diazabicyclo[3.2.0]heptane-3-carboxylic acid, 1, 1-dimethylethyl ester, (1R, 5R)- | A885379 | PB36371 | P13815 | 1419075-97-0 | (1R, 5R)-3-Boc-3, 6-diazabicyclo[3.2.0]heptane | (1R, 5R)-3-Bo

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Wet ice

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

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC2CNC2C1
• IUPAC Name: tert-butyl (1R,5R)-3,6-diazabicyclo[3.2.0]heptane-3-carboxylate
• InChIKey: YKGWXZRHRQUYTA-SFYZADRCSA-N
• INCHI: 1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-11-8(7)6-12/h7-8,11H,4-6H2,1-3H3/t7-,8+/m1/s1
• Isómeros SMILES: CC(C)(C)OC(=O)N1C[C@H]2CN[C@H]2C1
• Peso molecular: 198.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine carboxylic acids
• Alternative Parents: 1,4-diazepanes Carbamate esters Azetidines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pyrrolidine carboxylic acid - 1,4-diazepane - Diazepane - Carbamic acid ester - Azetidine - Secondary aliphatic amine - Azacycle - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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: 0.600
• 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