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1,3-Bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione - 55%, high purity , CAS No.6440-58-0
Basic Description
Synonyms
6440-58-0 | 1,3-Bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione | DMDM Hydantoin | Dimethyloldimethyl hydantoin | Glydant | Dmdmh | 1,3-Bis(hydroxymethyl)-5,5-dimethylhydantoin | 1,3-Dimethylol-5,5-dimethylhydantoin | Dantoin-DMDMH | Glycoserve-DMDMH | Dantoin dmdmh 5
Specifications & Purity
≥55%
Storage Temp
Room temperature
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 N-acyl ureas Dicarboximides Azacyclic compounds Alkanolamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Hydantoin - Alpha-amino acid or derivatives - N-acyl urea - Ureide - Dicarboximide - Carbonic acid derivative - Urea - Alkanolamine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic 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.
Names and Identifiers
IUPAC Name
1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione
INCHI
InChI=1S/C7H12N2O4/c1-7(2)5(12)8(3-10)6(13)9(7)4-11/h10-11H,3-4H2,1-2H3
InChIKey
WSDISUOETYTPRL-UHFFFAOYSA-N
Smiles
CC1(C(=O)N(C(=O)N1CO)CO)C
Isomeric SMILES
CC1(C(=O)N(C(=O)N1CO)CO)C
Molecular Weight
188.18
Reaxy-Rn
882348
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=882348&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
94 - 97°C
Molecular Weight
188.180 g/mol
XLogP3
-0.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
188.08 Da
Monoisotopic Mass
188.08 Da
Topological Polar Surface Area
81.100 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
251.000
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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