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1,3-Diazaspiro[4.4]nonane-2,4-dione - 97%, high purity , CAS No.699-51-4
Basic Description
Synonyms
1,3-DIAZASPIRO[4.4]NONANE-2,4-DIONE | 699-51-4 | 5,5-Tetramethylenehydantoin | 1,3-Diazaspiro(4.4)nonane-2,4-dione | 5,5-Tetramethylenespirohydantoin | MLS002637545 | MFCD00022403 | 1,3-Diaza-spiro[4.4]nonane-2,4-dione | Ba 2839 | 5,5'-Cyclopentanespirohydantoin | CB 1683 | BR
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azolidines
Subclass
Imidazolidines
Intermediate Tree Nodes
Imidazolidinones - Imidazolidinediones
Direct Parent
Hydantoins
Alternative Parents
Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Hydantoin - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - N-acyl urea - Ureide - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
488186852
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488186852
IUPAC Name
1,3-diazaspiro[4.4]nonane-2,4-dione
INCHI
InChI=1S/C7H10N2O2/c10-5-7(3-1-2-4-7)9-6(11)8-5/h1-4H2,(H2,8,9,10,11)
InChIKey
JTTFXYHJDZZDQK-UHFFFAOYSA-N
Smiles
C1CCC2(C1)C(=O)NC(=O)N2
Isomeric SMILES
C1CCC2(C1)C(=O)NC(=O)N2
Molecular Weight
154.17
Reaxy-Rn
135190
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135190&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
154.170 g/mol
XLogP3
0.000
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
154.074 Da
Monoisotopic Mass
154.074 Da
Topological Polar Surface Area
58.200 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
218.000
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
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G2305031