Diethyl iminodiacetate - ≥97%(GC) , CAS No.6290-05-7

CAS: 6290-05-7 Cat. No.: D398512 分子式: HN(CH₂CO₂C₂H₅)₂ 分子量: 189.21 EC番号: 228-533-6

GRADE & PURITY ≥97%(GC)

Synonyms

diethyl 2,2'-iminodiacetate | EN300-200353 | 1-[[(4-HYDROXYPHENYL)ETHYL]AMINO]-1-PROPANONEHYDROCHLORIDE | iminodiacetic acid, diethyl ester | NSC 6950 | A834076 | (ethoxycarbonylmethyl-amino)-acetic acid ethyl ester | Diethyl iminodiacetate | J-520278 | F

Storage

Room temperature,Desiccated

Shipped In

Normal

概要

 Product Application：

It is mainly used for the manufacture of N-(Phosphonomethyl) iminodiacetic acid and glyphosate. Used as raw material for ion exchange resin; for rubbers, electroplating and food additives.

Specifications

同義語

diethyl 2,2'-iminodiacetate | EN300-200353 | 1-[[(4-HYDROXYPHENYL)ETHYL]AMINO]-1-PROPANONEHYDROCHLORIDE | iminodiacetic acid, diethyl ester | NSC 6950 | A834076 | (ethoxycarbonylmethyl-amino)-acetic acid ethyl ester | Diethyl iminodiacetate | J-520278 | F

仕様と純度

≥97%(GC)

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥97%(GC)

名前と識別子

• パブケム・シド: 504755466
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504755466
• カノニカル・スマイル: CCOC(=O)CNCC(=O)OCC
• IUPAC Name: ethyl 2-[(2-ethoxy-2-oxoethyl)amino]acetate
• InChIKey: LJDNMOCAQVXVKY-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO4/c1-3-12-7(10)5-9-6-8(11)13-4-2/h9H,3-6H2,1-2H3
• 異性体SMILES: CCOC(=O)CNCC(=O)OCC
• WGKドイツ: 3
• 分子量: 189.21
• Reaxy-Rn: 1782048
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1782048&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid esters
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
• 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

化学的性質と物理的性質

• 溶解度: Moderately soluble in water.
• 屈折率: 1.435
• 引火点（°F）: 235 °F
• 引火点（°C）: 113°C
• 沸点（°C）: 208°C
• 分子量: 189.210 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 189.1 Da
• Monoisotopic Mass: 189.1 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 152.000
• 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: 1