Ethyl N-Boc-oxamidate - ≥97% , CAS No.216959-34-1

CAS: 216959-34-1 Cat. No.: E168640 Fórmula: C₉H₁₅NO₅ Peso molecular: 217.22 Beilstein Registry Number: 8201750 Número CE: 625-040-1

GRADE & PURITY ≥97%

Synonyms

ETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-2-OXOACETATE | DSDQWJVXMDHQLK-UHFFFAOYSA-N | ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoacetate | Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino]oxo-, ethyl ester | AC-6512 | SCHEMBL1294994 | Ethyl 2-((ter

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

ETHYL 2-[(TERT-BUTOXYCARBONYL)AMINO]-2-OXOACETATE | DSDQWJVXMDHQLK-UHFFFAOYSA-N | ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoacetate | Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino]oxo-, ethyl ester | AC-6512 | SCHEMBL1294994 | Ethyl 2-((ter

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488192420
• Sorrisos canónicos: CCOC(=O)C(=O)NC(=O)OC(C)(C)C
• IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoacetate
• InChIKey: DSDQWJVXMDHQLK-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO5/c1-5-14-7(12)6(11)10-8(13)15-9(2,3)4/h5H2,1-4H3,(H,10,11,13)
• SMILES isoméricas: CCOC(=O)C(=O)NC(=O)OC(C)(C)C
• WGK Alemanha: 3
• Peso molecular: 217.22
• Beilstein: 8201750
• Reaxy-Rn: 8201747
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8201747&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Dicarboximides Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Carbamic acid ester - Dicarboximide - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.449
• Ponto de fusão (°C): 115 - 120 °C
• Peso molecular: 217.220 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 217.095 Da
• Monoisotopic Mass: 217.095 Da
• Topological Polar Surface Area: 81.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 266.000
• 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