1,3,4,6-Tetraquis(metoximetil)glicoluril - ≥98% , CAS No.17464-88-9

CAS: 17464-88-9 Cat. No.: T162349 Peso molecular: 318.33 Número EC: 241-480-3 PubChem CID: 87125

GRADE & PURITY ≥98%

Synonyms

MFCD00402438 | (3-TRIFLUOROMETHYLPHENYLMETHANESULFONYL)-ACETICACID | SCHEMBL75394 | XGQJGMGAMHFMAO-UHFFFAOYSA-N | FT-0696248 | 1,3,4,6-Tetrakis(methoxymethyl)glycoluril | SY053236 | STL334686 | tetrahydro-1,3,4,6-tetrakis(methoxymethyl)imidazo[4,5-d]imida

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00402438 | (3-TRIFLUOROMETHYLPHENYLMETHANESULFONYL)-ACETICACID | SCHEMBL75394 | XGQJGMGAMHFMAO-UHFFFAOYSA-N | FT-0696248 | 1, 3, 4, 6-Tetrakis(methoxymethyl)glycoluril | SY053236 | STL334686 | tetrahydro-1, 3, 4, 6-tetrakis(methoxymethyl)imidazo[4, 5-d]imida

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755867
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755867
• Sonrisas canónicas: COCN1C2C(N(C1=O)COC)N(C(=O)N2COC)COC
• IUPAC Name: 1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
• InChIKey: XGQJGMGAMHFMAO-UHFFFAOYSA-N
• INCHI: 1S/C12H22N4O6/c1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h9-10H,5-8H2,1-4H3
• Isómeros SMILES: COCN1C2C(N(C1=O)COC)N(C(=O)N2COC)COC
• PubChem CID: 87125
• Peso molecular: 318.33
• Reaxy-Rn: 14484183

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 Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Imidazolidinone - Urea - Carbonic acid derivative - Azacycle - 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

• Solubilidad: Soluble in water
• Punto de fusión (°C): 117-122℃
• Peso molecular: 318.330 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 318.154 Da
• Monoisotopic Mass: 318.154 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 352.000
• 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