Ethyl 2-ethoxy-2-iminoacetate - ≥95% , CAS No.816-27-3

CAS: 816-27-3 Cat. No.: E195169 분자식: C₆H₁₁NO₃ 분자량: 145.16 EC 번호: 806-176-2

등급 & 순도 ≥95%

Synonyms

SB38861 | SY047515 | ETHOXY-IMINO-ACETIC ACID ETHYL ESTER | (E)-ethyl 2-(ethoxyimino)acetate | AKOS005257690 | Ethyl 2-ethoxy-2-iminoacetate | STL554930 | DTXSID70448293 | DS-2629 | MFCD06797654 | BBL101134 | Ethyl ethoxyiminoacetate | FT-0727474 | ethyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

사양

동의어

SB38861 | SY047515 | ETHOXY-IMINO-ACETIC ACID ETHYL ESTER | (E)-ethyl 2-(ethoxyimino)acetate | AKOS005257690 | Ethyl 2-ethoxy-2-iminoacetate | STL554930 | DTXSID70448293 | DS-2629 | MFCD06797654 | BBL101134 | Ethyl ethoxyiminoacetate | FT-0727474 | ethyl

사양 및 순도

≥95%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

504765728

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765728

정식 스마일

CCOC(=N)C(=O)OCC

IUPAC Name

ethyl 2-ethoxy-2-iminoacetate

InChIKey

DSHWMBCJDOGPTB-UHFFFAOYSA-N

INCHI

1S/C6H11NO3/c1-3-9-5(7)6(8)10-4-2/h7H,3-4H2,1-2H3

이성체 SMILES

CCOC(=N)C(=O)OCC

분자량

145.16

Reaxy-Rn

1761389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1761389&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboximidic acids and derivatives
• Subclass: Imidoesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidoesters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Imido ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: 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

화학 및 물리적 특성

• 분자량: 145.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 145.074 Da
• Monoisotopic Mass: 145.074 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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