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

CAS: 10344-69-1 Cat. No.: D165556 Formule: C₇H₁₄N₂O₂·2(HCl) Poids moléculaire: 231.12 Numéro CE: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504754687

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754687

Sourires canoniques

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

Isomères SMILES

CCOC(=N)CC(=N)OCC.Cl.Cl

WGK Allemagne

3

PubChem CID

73106

Poids moléculaire

231.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point de fusion (°C): 122°C
• Poids moléculaire: 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

XLogP3