Dimethyl Pimelimidate Dihydrochloride - ≥98% , CAS No.58537-94-3

CAS: 58537-94-3 Cat. No.: D155696 Molecular Weight: 259.17 EC Number: 261-320-6 PubChem CID: 11402688

GRADE & PURITY ≥98%

Synonyms

Dimethyl pimelimidate dihydrochloride | Dimethyl pimelimidate dihydrochloride, >=99.0% (AT) | Dimethyl Pimelimidate Dihydrochloride [Cross-linking Agent for Peptides Research] | dimethyl heptanediimidate;dihydrochloride | Dimethyl pimelimidate dihydrochlo

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Dimethyl pimelimidate dihydrochloride | Dimethyl pimelimidate dihydrochloride, >=99.0% (AT) | Dimethyl Pimelimidate Dihydrochloride [Cross-linking Agent for Peptides Research] | dimethyl heptanediimidate;dihydrochloride | Dimethyl pimelimidate dihydrochlo

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Pubchem Sid: 504766385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766385
• Canonical Smiles: COC(=N)CCCCCC(=N)OC.Cl.Cl
• IUPAC Name: dimethyl heptanediimidate;dihydrochloride
• InChIKey: LRHXBHUTQWIZTN-UHFFFAOYSA-N
• INCHI: 1S/C9H18N2O2.2ClH/c1-12-8(10)6-4-3-5-7-9(11)13-2;;/h10-11H,3-7H2,1-2H3;2*1H
• Isomeric SMILES: COC(=N)CCCCCC(=N)OC.Cl.Cl
• PubChem CID: 11402688
• Molecular Weight: 259.17
• Reaxy-Rn: 14435805

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: Organooxygen compounds Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Organic nitrogen compound - Organic oxygen 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

• Solubility: solubility H2O: 10 mg/mL
• Sensitivity: Heat sensitive;Moisture sensitive
• Molecular Weight: 259.170 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 258.09 Da
• Monoisotopic Mass: 258.09 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 151.000
• 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