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

CAS: 10344-69-1 Cat. No.: D165556 Molecular Weight: 231.12 EC Number: 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

Overview

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

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

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504754687
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754687
• Canonical Smiles: 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
• Isomeric SMILES: CCOC(=N)CC(=N)OCC.Cl.Cl
• WGK Germany: 3
• PubChem CID: 73106
• Molecular Weight: 231.12

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 122°C
• Molecular Weight: 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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