N-Methylsuccinimide - ≥98%(GC) , CAS No.1121-07-9

CAS: 1121-07-9 Cat. No.: N159128 Fórmula: C₅H₇NO₂ Peso molecular: 113.12 Número CE: 628-414-2

GRADE & PURITY ≥98%(GC)

Synonyms

D70368 | Hydrogen gas | SCHEMBL27941 | (+-)-Homocysteine | DTXSID40149902 | EN300-211529 | N-METHYL SUCCINIMIDE | AC-15701 | MFCD00005517 | InChI=1/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H | 1-Methyl-2,5-pyrrolidinedione | UNII-FT9GT286W2 | Succinimide, N-met

Storage

Room temperature

Shipped In

Normal

Visão geral

N-Methylsuccinimide is a metabolite of N-methyl-2-pyrrolidone (NMP) and its presence in in plasma and urine can be used as a biomarker of exposure to NMP. Hydrogen bonded complexes between N-methylsuccinimide and phenols (pKa = 10.2 → 6) are investigated by infrared spectrometry.
N-Methylsuccinimide was employed as model compound to investigate the mechanism of enolization step by density-functional theory (DFT) calculations

Specifications

Sinónimos

D70368 | Hydrogen gas | SCHEMBL27941 | (+-)-Homocysteine | DTXSID40149902 | EN300-211529 | N-METHYL SUCCINIMIDE | AC-15701 | MFCD00005517 | InChI=1/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H | 1-Methyl-2,5-pyrrolidinedione | UNII-FT9GT286W2 | Succinimide, N-met

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488184576

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184576

Sorrisos canónicos

CN1C(=O)CCC1=O

IUPAC Name

1-methylpyrrolidine-2,5-dione

InChIKey

KYEACNNYFNZCST-UHFFFAOYSA-N

INCHI

1S/C5H7NO2/c1-6-4(7)2-3-5(6)8/h2-3H2,1H3

SMILES isoméricas

CN1C(=O)CCC1=O

WGK Alemanha

2

RTECS

UY1028650

Peso molecular

113.12

Reaxy-Rn

110534

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110534&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid imides
          • Level6 N-substituted carboxylic acid imides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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
• Descrição: 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: 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in methanol
• Sensibilidade: Moisture sensitive
• Ponto de ebulição (°C): 235°C
• Ponto de fusão (°C): 70 °C
• Peso molecular: 113.110 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 113.048 Da
• Monoisotopic Mass: 113.048 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 125.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1121-07-9, the molecular formula is C5H7NO2, and the molecular weight is 113.12 g/mol. InChIKey KYEACNNYFNZCST-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.