N-Ethylsuccinimide - ≥98%(GC) , CAS No.2314-78-5

CAS: 2314-78-5 Cat. No.: N159134 Summenformel: C₆H₉NO₂ Molekulargewicht: 127.14 Beilstein Registry Number: 21(3/4)4544 EG-Nummer: 679-911-6

GRADE & PURITY ≥98%(GC)

Synonyms

A878322 | succinimide, N-ethyl | Succinimide, N-ethyl- | E0175 | InChI=1/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3 | 2, 1-ethyl- | SCHEMBL435413 | DTXSID10177712 | 1-ETHYL-PYRROLIDINE-2,5-DIONE | 1-ethylpyrrolidine-2,5-dione | Q27093016 | MFCD00059748 | 2,5

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

A878322 | succinimide, N-ethyl | Succinimide, N-ethyl- | E0175 | InChI=1/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3 | 2, 1-ethyl- | SCHEMBL435413 | DTXSID10177712 | 1-ETHYL-PYRROLIDINE-2,5-DIONE | 1-ethylpyrrolidine-2,5-dione | Q27093016 | MFCD00059748 | 2,5

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488182301

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182301

Kanonisches Lächeln

CCN1C(=O)CCC1=O

IUPAC Name

1-ethylpyrrolidine-2,5-dione

InChIKey

GHAZCVNUKKZTLG-UHFFFAOYSA-N

INCHI

1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3

Isomere SMILES

CCN1C(=O)CCC1=O

Molekulargewicht

127.14

Beilstein

21(3/4)4544

Reaxy-Rn

116095

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=116095&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid imides
          • Ebene6 N-substituted carboxylic acid imides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid imides
• Direct Parent: N-substituted carboxylic acid imides
• Alternative Parents: Pyrrolidine-2-ones N-alkylpyrrolidines Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Dicarboximide - Pyrrolidine - Lactam - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as n-substituted carboxylic acid imides. These are compounds comprising an N-substituted carboxylic acid imide group, with the general structure R1N(C(R2)=O)C(R3)=O (R2,R3=H, alkyl, aryl; R1=Anything but H).
• External Descriptors: a small molecule

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive& heat sensitive
• Schmelzpunkt (°C): 28 °C
• Molekulargewicht: 127.140 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 127.063 Da
• Monoisotopic Mass: 127.063 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 137.000
• 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