N,N'-(2,5-DIMETHYL-1,4-PHENYLENE)BIS(ACETOACETAMIDE) - ≥98% , CAS No.24304-50-5

CAS: 24304-50-5 Cat. No.: N168948 Peso molecular: 304.349 Número EC: 246-141-3

GRADE & PURITY ≥98%

Synonyms

N,N'-(2,5-Dimethyl-1,4-Phenylene)Bis[3-Oxobutyramide] | ACETOACETAMIDE, N,N'-(2,5-DIMETHYL-P-PHENYLENE)BIS- | W-110590 | 1H-Imidazole, 2-(3-chlorophenyl)-4,5-dihydro- | n,n'-(2,5-dimethyl-1,4-phenylene)bis(3-oxobutanamide) | N,N'-(2,5-Dimethyl-1,4-phenyle

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

N, N'-(2, 5-Dimethyl-1, 4-Phenylene)Bis[3-Oxobutyramide] | ACETOACETAMIDE, N, N'-(2, 5-DIMETHYL-P-PHENYLENE)BIS- | W-110590 | 1H-Imidazole, 2-(3-chlorophenyl)-4, 5-dihydro- | n, n'-(2, 5-dimethyl-1, 4-phenylene)bis(3-oxobutanamide) | N, N'-(2, 5-Dimethyl-1, 4-phenyle

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1NC(=O)CC(=O)C)C)NC(=O)CC(=O)C
• IUPAC Name: N-[2,5-dimethyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
• InChIKey: NPISXGVUUHHCHZ-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)
• Isómeros SMILES: CC1=CC(=C(C=C1NC(=O)CC(=O)C)C)NC(=O)CC(=O)C
• Peso molecular: 304.349
• Reaxy-Rn: 3066644
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3066644&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: p-Xylenes N-arylamides Fatty amides 1,3-dicarbonyl compounds Secondary carboxylic acid amides Ketones Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - N-arylamide - Xylene - P-xylene - Fatty amide - 1,3-dicarbonyl compound - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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

• Peso molecular: 304.340 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 304.142 Da
• Monoisotopic Mass: 304.142 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 419.000
• 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