Diethyl malonimidate dihydrochloride - ≥95% , CAS No.10344-69-1

CAS: 10344-69-1 Cat. No.: D165556 Peso molecular: 231.12 Número EC: 629-136-4 PubChem CID: 73106

GRADE & PURITY ≥95%

Synonyms

NSC 163475 | Malonimidic acid, diethyl ester, dihydrochloride | BS-42687 | D81868 | Propanediimidic acid, diethyl ester, dihydrochloride | diethyl malonimidate 2hcl | DTXSID7065043 | MFCD00054633 | AI3-61096 | AKOS005216717 | J-000968 | (2-BENZENESULFONYL

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Diethyl malonimidate dihydrochloride may be used in the preparation of chiral bis(oxazoline) ligands. It may be used in the preparation of intramolecularly cross-linked urokinase.

Specifications

Sinónimos

NSC 163475 | Malonimidic acid, diethyl ester, dihydrochloride | BS-42687 | D81868 | Propanediimidic acid, diethyl ester, dihydrochloride | diethyl malonimidate 2hcl | DTXSID7065043 | MFCD00054633 | AI3-61096 | AKOS005216717 | J-000968 | (2-BENZENESULFONYL

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504754687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754687
• Sonrisas canónicas: CCOC(=N)CC(=N)OCC.Cl.Cl
• IUPAC Name: diethyl propanediimidate;dihydrochloride
• InChIKey: TWUQXVGHXWRUBR-UHFFFAOYSA-N
• INCHI: 1S/C7H14N2O2.2ClH/c1-3-10-6(8)5-7(9)11-4-2;;/h8-9H,3-5H2,1-2H3;2*1H
• Isómeros SMILES: CCOC(=N)CC(=N)OCC.Cl.Cl
• WGK Alemania: 3
• PubChem CID: 73106
• Peso molecular: 231.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboximidic acids and derivatives
      • Subclass Imidoesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidoesters
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidoesters. These are organic ester derivatives of imidic acid. They have the general structure ROC(CR')=NR\", where R=organyl group, R'-R\"= H or organyl group.
• 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

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 122°C
• Peso molecular: 231.120 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 230.059 Da
• Monoisotopic Mass: 230.059 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 129.000
• 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

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