1,3,5-Triacryloylhexahydro-1,3,5-triazine - ≥98%(HPLC) , CAS No.959-52-4

CAS: 959-52-4 Cat. No.: T162232 Peso molecular: 249.27 Número EC: 213-501-6 PubChem CID: 70397

GRADE & PURITY ≥98%(HPLC)

Synonyms

Triacryloylhexahydro-s-triazine | Fixierer P | Triacrylformal | Triacryloylperhydrotriazine | Hexahydro-1,3,5-tris(1-oxallyl)-1,3,5-triazin

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

Triacryloylhexahydro-s-triazine | Fixierer P | Triacrylformal | Triacryloylperhydrotriazine | Hexahydro-1, 3, 5-tris(1-oxallyl)-1, 3, 5-triazin

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488184536
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184536
• Sonrisas canónicas: C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C
• IUPAC Name: 1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
• InChIKey: FYBFGAFWCBMEDG-UHFFFAOYSA-N
• INCHI: 1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2
• Isómeros SMILES: C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C
• RTECS: XY9260000
• PubChem CID: 70397
• Peso molecular: 249.27
• Reaxy-Rn: 225908

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazinanes
      • Subclass 1,3,5-triazinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazinanes
• Subclass: 1,3,5-triazinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazinanes
• Alternative Parents: Tertiary carboxylic acid amides Acrylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,5-triazinane - Acrylic acid or derivatives - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
• 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: Slightly soluble in water; Soluble in Acetone,Tetrahydrofuran,Methanol,Dimethylformamide; Slightly soluble in Toluene
• Sensibilidad: Air sensitive，Heat sensitive
• Punto de fusión (°C): 156 °C(dec.)
• Peso molecular: 249.270 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.111 Da
• Monoisotopic Mass: 249.111 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 343.000
• 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