5-azaspiro[2.3]esano emioxalato - ≥97% , CAS No.1638767-88-0

CAS: 1638767-88-0 Cat. No.: A174827 Formula: C₁₂H₂₀N₂O₄ Peso molecolare: 256.2982 PubChem CID: 92131090

GRADE & PURITY ≥97%

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1CC12CNC2.C1CC12CNC2.C(=O)(C(=O)O)O

IUPAC Name

5-azaspiro[2.3]hexane;oxalic acid

InChIKey

XLVQQCLHAATQTR-UHFFFAOYSA-N

INCHI

1S/2C5H9N.C2H2O4/c2*1-2-5(1)3-6-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6)

Isomeri SMILES

C1CC12CNC2.C1CC12CNC2.C(=O)(C(=O)O)O

PubChem CID

92131090

Peso molecolare

256.2982

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Azetidines Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Dicarboxylic acid or derivatives - Azetidine - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two 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

Proprietà chimiche e fisiche

• Peso molecolare: 256.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 256.142 Da
• Monoisotopic Mass: 256.142 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 140.000
• 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: 3

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1638767-88-0, the molecular formula is C12H20N2O4, and the molecular weight is 256.2982 g/mol. InChIKey XLVQQCLHAATQTR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.