1,1-Dimethylurea - ≥98% , CAS No.598-94-7

CAS: 598-94-7 Cat. No.: D155381 Formula: C₃H₈N₂O Peso molecolare: 88.11 Beilstein Registry Number: 4(4)224 Numero EC: 209-957-0

GRADE & PURITY ≥98%

Synonyms

A832531 | UNII-I988R763P3 | 1,1-Dimethyl urea | BB 0311004 | HSDB 4273 | N,N-Dimethylharnstoff [German] | STL482999 | MFCD00007959 | 1,1-DIMETHYLUREA [HSDB] | SY048169 | DTXSID0060515 | InChI=1/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6 | N,N-dimethyl urea | STR

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A832531 | UNII-I988R763P3 | 1,1-Dimethyl urea | BB 0311004 | HSDB 4273 | N,N-Dimethylharnstoff [German] | STL482999 | MFCD00007959 | 1,1-DIMETHYLUREA [HSDB] | SY048169 | DTXSID0060515 | InChI=1/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6 | N,N-dimethyl urea | STR

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488181417
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181417
• Sorrisi canonici: CN(C)C(=O)N
• IUPAC Name: 1,1-dimethylurea
• InChIKey: YBBLOADPFWKNGS-UHFFFAOYSA-N
• INCHI: 1S/C3H8N2O/c1-5(2)3(4)6/h1-2H3,(H2,4,6)
• Isomeri SMILES: CN(C)C(=O)N
• WGK Germania: 3
• RTECS: YS9867985
• Peso molecolare: 88.11
• Beilstein: 4(4)224
• Reaxy-Rn: 1740666
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740666&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic carbonic acids and derivatives
      • Subclass Ureas

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as ureas. These are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water; Slightly soluble in Alcohol
• Punto di fusione (°C): 182 °C(dec.)
• Peso molecolare: 88.110 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 88.0637 Da
• Monoisotopic Mass: 88.0637 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 59.800
• 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

Riferimenti

1. Maoxin Li, Wenyan Chen, Wenxing Chen, Shichang Chen.  (2023)  Degradation of Poly(ethylene terephthalate) Using Metal-Free 1,8-Diazabicyclo[5.4.0]undec-7-ene-Based Deep Eutectic Solvents as Efficient Catalysts.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c01071]

2. Yinghui Bian, Weichuan Jiang, Yonglei Zhang, Lishun Zhao, Xiaohang Wang, Zichuan Lv, Shuai Zhou, Yuqing Han, Hui Chen, Meng-Chang Lin.  (2021)  Understanding the Oxidation and Reduction Reactions of Sulfur in Rechargeable Aluminum-Sulfur Batteries with Deep Eutectic Solvent and Ionic Liquid Electrolytes.  ChemSusChem,  15  (1): (e202101398).  [PMID:34532988] [10.1002/cssc.202101398]

3. Yi-Bo Chen, Cheng-Yang Zhang, Dan Luo, Ran-Qi Chen, Jian Zhang, Shu-Mei Chen, Wei-Hui Fang.  (2024)  Host-Guest Chemistry and Nonlinear Optical Behaviors of Aluminum Molecular Rings†.  CHINESE JOURNAL OF CHEMISTRY,      [PMID:] [10.1002/cjoc.202400423]

Domande frequenti

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 598-94-7, the molecular formula is C3H8N2O, and the molecular weight is 88.11 g/mol. InChIKey YBBLOADPFWKNGS-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.