Malonaldehyde Dianilide Hydrochloride - ≥98% , CAS No.28140-60-5

CAS: 28140-60-5 Cat. No.: M404634 Peso molecular: 258.75 Número EC: 248-862-9

GRADE & PURITY ≥98%

Synonyms

3-Anilinoacraldehyde anil hydrochloride | Benzenamine, N-(3-(phenylamino)-2-propen-1-ylidene)-, hydrochloride (1:?) | A853426 | Benzenamine,N-[3-(phenylamino)-2-propen-1-ylidene]-,hydrochloride(1:?) | 3-Anilinoacraldehyde anil hydrochloride salt | Z174196

Storage

Argon charged,Room temperature

Specifications

Sinónimos

3-Anilinoacraldehyde anil hydrochloride | Benzenamine, N-(3-(phenylamino)-2-propen-1-ylidene)-, hydrochloride (1:?) | A853426 | Benzenamine, N-[3-(phenylamino)-2-propen-1-ylidene]-, hydrochloride(1:?) | 3-Anilinoacraldehyde anil hydrochloride salt | Z174196

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488195609
• Sonrisas canónicas: C1=CC=C(C=C1)NC=CC=NC2=CC=CC=C2.Cl
• IUPAC Name: N-[(E)-3-phenyliminoprop-1-enyl]aniline;hydrochloride
• InChIKey: PBKBURVPAHHUIK-AVUWLFEKSA-N
• INCHI: 1S/C15H14N2.ClH/c1-3-8-14(9-4-1)16-12-7-13-17-15-10-5-2-6-11-15;/h1-13,16H;1H/b12-7+,17-13?
• Isómeros SMILES: C1=CC=C(C=C1)N/C=C/C=NC2=CC=CC=C2.Cl
• RTECS: CY1201950
• CAS alternativo: 50328-50-2
• Peso molecular: 258.75
• Reaxy-Rn: 3915642
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915642&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Shiff bases Propargyl-type 1,3-dipolar organic compounds Enamines Allylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Shiff base - Allylamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Aldimine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Imine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Sensibilidad: Moisture Sensitive
• Peso molecular: 258.740 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 258.092 Da
• Monoisotopic Mass: 258.092 Da
• Topological Polar Surface Area: 24.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 246.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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