1-Methylhydantoin - ≥98% , CAS No.616-04-6

CAS: 616-04-6 Cat. No.: M158526 Summenformel: C₄H₆N₂O₂ Molekulargewicht: 114.1 Beilstein Registry Number: 24(3/4)1034 EG-Nummer: 210-460-6

GRADE & PURITY ≥98%

Synonyms

1-methylimidazolidine-2,4-dione | N-Methylhydantoin | FT-0632575 | InChI=1/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) | S6184 | STK801997 | M1027 | Dioxy-creatinine | RHYBFKMFHLPQPH-UHFFFAOYSA- | methylhydantoine | NSC80560 | NSC-80560 | DTXSID9021059

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1-methylimidazolidine-2,4-dione | N-Methylhydantoin | FT-0632575 | InChI=1/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) | S6184 | STK801997 | M1027 | Dioxy-creatinine | RHYBFKMFHLPQPH-UHFFFAOYSA- | methylhydantoine | NSC80560 | NSC-80560 | DTXSID9021059

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504754352
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754352
• Kanonisches Lächeln: 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)
• Isomere SMILES: CN1CC(=O)NC1=O
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Azolines
      • Subclass Imidazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 158 °C
• Molekulargewicht: 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

Referenzen

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:41830295] [10.1002/adma.202520432]

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 616-04-6, the molecular formula is C4H6N2O2, and the molecular weight is 114.1 g/mol. InChIKey RHYBFKMFHLPQPH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.