1,3,7-Triazaspiro[4.5]decane-2,4-dione - ≥97% , CAS No.78222-09-0

CAS: 78222-09-0 Cat. No.: T634538 Molecular Weight: 169.18 EC Number: 886-461-6 PubChem CID: 12652263

GRADE & PURITY ≥97%

Synonyms

1,3,9-triazaspiro[4.5]decane-2,4-dione | Z905065822 | AS-50526 | 1,3,7-Triaza-spiro[45]decane-2,4-dione | FT-0655009 | MFCD07776799 | Allylsalicylate | SCHEMBL3332022 | 1,3,7-TRIAZA-SPIRO[4,5]DECANE-2,4-DIONE | EN300-88977 | 2,4,9-triazaspiro[4.5]decane-1

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

1, 3, 9-triazaspiro[4.5]decane-2, 4-dione | Z905065822 | AS-50526 | 1, 3, 7-Triaza-spiro[45]decane-2, 4-dione | FT-0655009 | MFCD07776799 | Allylsalicylate | SCHEMBL3332022 | 1, 3, 7-TRIAZA-SPIRO[4, 5]DECANE-2, 4-DIONE | EN300-88977 | 2, 4, 9-triazaspiro[4.5]decane-1

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CC2(CNC1)C(=O)NC(=O)N2
• IUPAC Name: 1,3,9-triazaspiro[4.5]decane-2,4-dione
• InChIKey: PLFDWSDBRBNQLQ-UHFFFAOYSA-N
• INCHI: 1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)
• Isomeric SMILES: C1CC2(CNC1)C(=O)NC(=O)N2
• Alternate CAS: 78222-09-0
• PubChem CID: 12652263
• Molecular Weight: 169.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Azaspirodecane derivatives Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Piperidines Dicarboximides Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - Azaspirodecane - 5-monosubstituted hydantoin - N-acyl urea - Ureide - Piperidine - Dicarboximide - Amino acid or derivatives - Urea - Carbonic acid derivative - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Secondary amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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: Light sensitive
• Molecular Weight: 169.180 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.085 Da
• Monoisotopic Mass: 169.085 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 241.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1