O2-tert-butyl O1-methyl 2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate - ≥97% , CAS No.2106477-57-8

CAS: 2106477-57-8 Cat. No.: O631673 Peso molecular: 255.31 PubChem CID: 134714795

GRADE & PURITY ≥97%

Synonyms

2106477-57-8 | 2-tert-Butyl 1-methyl 2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate | Methyl 2-boc-2-azabicyclo[4.1.0]heptan-1-carboxylate | MFCD30745381 | AS-78148 | P18664 | O2-t-butyl O1-methyl 2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate | 2-(tert-butyl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2106477-57-8 | 2-tert-Butyl 1-methyl 2-azabicyclo[4.1.0]heptane-1, 2-dicarboxylate | Methyl 2-boc-2-azabicyclo[4.1.0]heptan-1-carboxylate | MFCD30745381 | AS-78148 | P18664 | O2-t-butyl O1-methyl 2-azabicyclo[4.1.0]heptane-1, 2-dicarboxylate | 2-(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)N1CCCC2C1(C2)C(=O)OC
• IUPAC Name: 2-O-tert-butyl 1-O-methyl 2-azabicyclo[4.1.0]heptane-1,2-dicarboxylate
• InChIKey: MTYIZWZZJUYXRD-UHFFFAOYSA-N
• INCHI: 1S/C13H21NO4/c1-12(2,3)18-11(16)14-7-5-6-9-8-13(9,14)10(15)17-4/h9H,5-8H2,1-4H3
• PubChem CID: 134714795
• Peso molecular: 255.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Piperidinecarboxylic acids Fatty acid esters Azepanes Cyclopropanecarboxylic acids and derivatives Methyl esters Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Piperidinecarboxylic acid - Fatty acid ester - Azepane - Fatty acyl - Piperidine - Cyclopropanecarboxylic acid or derivatives - Methyl ester - Carbamic acid ester - Carbonic acid derivative - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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: 255.310 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 255.147 Da
• Monoisotopic Mass: 255.147 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 374.000
• 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