tert-butyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate - ≥97% , CAS No.127708-09-2

CAS: 127708-09-2 Cat. No.: T628066 Peso molecular: 199.25 PubChem CID: 14117043

GRADE & PURITY ≥97%

Synonyms

AKOS016843376 | 5-Boc-5-azabicyclo[2.2.1]heptan-2-one | SY277328 | DTXSID00556138 | F14330 | SB74209 | AKOS000279193 | SY097286 | EN300-7253574 | SB45364 | SCHEMBL3291082 | SB23061 | DS-4156 | 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS016843376 | 5-Boc-5-azabicyclo[2.2.1]heptan-2-one | SY277328 | DTXSID00556138 | F14330 | SB74209 | AKOS000279193 | SY097286 | EN300-7253574 | SB45364 | SCHEMBL3291082 | SB23061 | DS-4156 | 2-Oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid tert-butyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CC2CC1CO2
• IUPAC Name: tert-butyl 2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
• InChIKey: UETGVFOVBKMLPQ-UHFFFAOYSA-N
• INCHI: 1S/C10H17NO3/c1-10(2,3)14-9(12)11-5-8-4-7(11)6-13-8/h7-8H,4-6H2,1-3H3
• Isómeros SMILES: CC(C)(C)OC(=O)N1CC2CC1CO2
• CAS alternativo: 114676-79-8
• PubChem CID: 14117043
• Peso molecular: 199.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines
        • Level5 Morpholine carboxylic acids and derivatives
          • Level6 Morpholine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Morpholine carboxylic acids and derivatives
• Direct Parent: Morpholine carboxylic acids
• Alternative Parents: Pyrrolidine carboxylic acids Oxolanes Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Morpholine-4-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Carbamic acid ester - Pyrrolidine - Oxolane - Oxacycle - Azacycle - Ether - Dialkyl ether - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morpholine carboxylic acids. These are heterocyclic compounds containing a morpholine 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: 199.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.121 Da
• Monoisotopic Mass: 199.121 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1