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

CAS: 959-52-4 Cat. No.: T162232 Molecular Weight: 249.27 EC Number: 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

Synonyms

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

Specifications & Purity

≥98%(HPLC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488184536
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184536
• Canonical Smiles: 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
• Isomeric SMILES: C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C
• RTECS: XY9260000
• PubChem CID: 70397
• Molecular Weight: 249.27
• Reaxy-Rn: 225908

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in water; Soluble in Acetone,Tetrahydrofuran,Methanol,Dimethylformamide; Slightly soluble in Toluene
• Sensitivity: Air sensitive，Heat sensitive
• Melt Point(°C): 156 °C(dec.)
• Molecular Weight: 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