1-Methylhydantoin - 10mM in DMSO , CAS No.616-04-6

CAS: 616-04-6 Cat. No.: M425105 Molecular Weight: 114.1 Beilstein Registry Number: 24(3/4)1034 EC Number: 210-460-6

GRADE & PURITY 10mM in DMSO

Synonyms

1-Methylhydantoin|616-04-6|1-methylimidazolidine-2,4-dione|N-Methylhydantoin|Dioxy-creatinine|Hydantoin, 1-methyl-|1-methyl-hydantoin|2,4-Imidazolidinedione, 1-methyl-|methylhydantoin|1-Methyldiazolidine-2,4-dione|N-Methylimidazolidine-2,4-dione|CHEMBL475

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

1-Methylhydantoin | 616-04-6 | 1-methylimidazolidine-2, 4-dione | N-Methylhydantoin | Dioxy-creatinine | Hydantoin, 1-methyl- | 1-methyl-hydantoin | 2, 4-Imidazolidinedione, 1-methyl- | methylhydantoin | 1-Methyldiazolidine-2, 4-dione | N-Methylimidazolidine-2, 4-dione | CHEMBL475

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CN1CC(=O)NC1=O
• IUPAC Name: 1-methylimidazolidine-2,4-dione
• InChIKey: RHYBFKMFHLPQPH-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
• Isomeric SMILES: CN1CC(=O)NC1=O
• WGK Germany: 3
• Molecular Weight: 114.1
• Beilstein: 24(3/4)1034
• Reaxy-Rn: 112062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azolines
• Subclass: Imidazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazolines
• Alternative Parents: Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 3-imidazoline - Carbonic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - 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 imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond.
• External Descriptors: a small molecule

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 158 °C
• Molecular Weight: 114.100 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 114.043 Da
• Monoisotopic Mass: 114.043 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 143.000
• 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

References

1. Zhenda Huang, Boyuan Liu, Zheng Liang, Huifen Xu, Houwei He, Wanting Liu, Hongmin Zhou, Yong Zhang, Jiajiu Ye, Xu Pan.  (2026)  Positional Methylation Isomer Additives Regulate the Degradation Pathway of Perovskites.  ADVANCED MATERIALS,  38  (20): (e20432).  [PMID:] [10.1002/adma.202520432]