2-Ethyl-2-phenylmalonamide monohydrate（PEMA） - ≥99% , CAS No.80866-90-6

CAS: 80866-90-6 Cat. No.: E474408 Formule: C₁₁H₁₆N₂O₃ Poids moléculaire: 224.26

GRADE & PURITY ≥99%

Synonyms

27L1MIN7YR | UNII-27L1MIN7YR | 2-ethyl-2-phenylpropanediamide;hydrate | Propanediamide, 2-ethyl-2-phenyl-, monohydrate | 2-Ethyl-2-phenylmalonamide monohydrate | 2-Ethyl-2-phenylpropane-diamide Hydrate (Ethylphenylmalonamide Hydrate) | Q27254206 | Propane

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

2-Ethyl-2-phenylmalonamide monohydrate was used in quantification of 2-ethyl-2-phenylmalonamide in serum of epilepsy patients by gas liquid chromatography.

Specifications

Synonymes

27L1MIN7YR | UNII-27L1MIN7YR | 2-ethyl-2-phenylpropanediamide;hydrate | Propanediamide, 2-ethyl-2-phenyl-, monohydrate | 2-Ethyl-2-phenylmalonamide monohydrate | 2-Ethyl-2-phenylpropane-diamide Hydrate (Ethylphenylmalonamide Hydrate) | Q27254206 | Propane

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

Pubchem Sid

528756238

Sourires canoniques

CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N.O

IUPAC Name

2-ethyl-2-phenylpropanediamide;hydrate

InChIKey

FZSBWHZDTUPYRX-UHFFFAOYSA-N

INCHI

1S/C11H14N2O2.H2O/c1-2-11(9(12)14,10(13)15)8-6-4-3-5-7-8;/h3-7H,2H2,1H3,(H2,12,14)(H2,13,15);1H2

Isomères SMILES

CCC(C1=CC=CC=C1)(C(=O)N)C(=O)N.O

WGK Allemagne

3

CAS alternatif

7206-76-0

Poids moléculaire

224.26

Reaxy-Rn

38494716

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38494716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylacetamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylacetamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylacetamides
• Alternative Parents: Phenylpropanes Fatty amides Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylacetamide - Phenylpropane - Fatty amide - Fatty acyl - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point de fusion (°C): 120℃
• Poids moléculaire: 224.260 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 224.116 Da
• Monoisotopic Mass: 224.116 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 243.000
• 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: 2

XLogP3