Diallyl Propyl Isocyanurate (stabilized with BHT) - ≥97%(GC) , CAS No.5320-25-2

CAS: 5320-25-2 Cat. No.: D155471 Molecular Weight: 251.29 EC Number: 678-542-8

GRADE & PURITY ≥97%(GC)

Synonyms

1,3-Diallyl-5-propyl-1,3,5-triazinane-2,4,6-trione | MFCD00144514 | SCHEMBL2231866 | Diallyl Propyl Isocyanurate | FT-0635614 | 1,3-Di(prop-2-en-1-yl)-5-propyl-1,3,5-triazinane-2,4,6-trione | Diallyl Propyl Isocyanurate (stabilized with BHT) | Isocyanuric

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1, 3-Diallyl-5-propyl-1, 3, 5-triazinane-2, 4, 6-trione | MFCD00144514 | SCHEMBL2231866 | Diallyl Propyl Isocyanurate | FT-0635614 | 1, 3-Di(prop-2-en-1-yl)-5-propyl-1, 3, 5-triazinane-2, 4, 6-trione | Diallyl Propyl Isocyanurate (stabilized with BHT) | Isocyanuric

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: CCCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
• IUPAC Name: 1,3-bis(prop-2-enyl)-5-propyl-1,3,5-triazinane-2,4,6-trione
• InChIKey: ZIJDEADTCQKATN-UHFFFAOYSA-N
• INCHI: 1S/C12H17N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-5H,1-2,6-9H2,3H3
• Isomeric SMILES: CCCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C
• Molecular Weight: 251.29
• Reaxy-Rn: 806793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=806793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Triazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazines
• Subclass: Triazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazinones
• Alternative Parents: 1,3,5-triazines Heteroaromatic compounds Ureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triazinone - 1,3,5-triazine - Heteroaromatic compound - Urea - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as triazinones. These are compounds containing a triazine ring which bears a ketone group a carbon atom.
• 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

• Sensitivity: heat sensitive
• Refractive Index: 1.50
• Boil Point(°C): 136°C/2mmHg(lit.)
• Molecular Weight: 251.280 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 251.127 Da
• Monoisotopic Mass: 251.127 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 360.000
• 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