Tetrametilol acetilendiurea - ≥98% , CAS No.5395-50-6

CAS: 5395-50-6 Cat. No.: T185086 Peso molecular: 262.2 Número EC: 226-408-0 PubChem CID: 79372

GRADE & PURITY ≥98%

Synonyms

NSC67452 | NSC-67452 | s10410 | 2,4-DICHLOROPHENYL ACETIC ACID | Q27257006 | GROTAN TK6 | 1-mercapto-3-propanol | Benzene, 1-bromo-2-(methylthio)- | 2,5-Dioxo-1,3,4,6- tetrakis(hydroxymethyl)hexahydroimidazo[4,5-d]imidazole | Ethyl piperidine-1-propionate

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

NSC67452 | NSC-67452 | s10410 | 2, 4-DICHLOROPHENYL ACETIC ACID | Q27257006 | GROTAN TK6 | 1-mercapto-3-propanol | Benzene, 1-bromo-2-(methylthio)- | 2, 5-Dioxo-1, 3, 4, 6- tetrakis(hydroxymethyl)hexahydroimidazo[4, 5-d]imidazole | Ethyl piperidine-1-propionate

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755369
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755369
• Sonrisas canónicas: C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O
• IUPAC Name: 1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
• InChIKey: UUGLSEIATNSHRI-UHFFFAOYSA-N
• INCHI: 1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2
• Isómeros SMILES: C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O
• PubChem CID: 79372
• Peso molecular: 262.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolidinones
• Alternative Parents: Ureas Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Imidazolidinone - Urea - Carbonic acid derivative - Azacycle - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazolidinones. These are organic compounds containing an imidazolidinone moiety, which is an imidazolidine ring bearing a ketone.
• 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

• Sensibilidad: Air sensitive
• Punto de fusión (°C): 136 °C
• Peso molecular: 262.220 g/mol
• XLogP3: -2.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 262.091 Da
• Monoisotopic Mass: 262.091 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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