1-Methylurea - Moligand™, ≥98% , CAS No.598-50-5

CAS: 598-50-5 Cat. No.: M107951 分子式: C₂H₆N₂O 分子量: 74.08 Beilstein Registry Number: 878189 EC番号: 209-935-0

GRADE & PURITY Moligand™, ≥98%

Synonyms

Monomethylurea | Urea, methyl- | 1-Methylurea | Methylharnstoff | Methylmocovina | METHYLUREA-D6 | N-Methylurea | VZ89YBW3P8 | Methyl urea | Methylharnstoff [German] | Methylmocovina [Czech] | METHYLUREA | MFCD00007950 | N-methyl urea | urea, N-methyl-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

Monomethylurea | Urea, methyl- | 1-Methylurea | Methylharnstoff | Methylmocovina | METHYLUREA-D6 | N-Methylurea | VZ89YBW3P8 | Methyl urea | Methylharnstoff [German] | Methylmocovina [Czech] | METHYLUREA | MFCD00007950 | N-methyl urea | urea, N-methyl-

仕様と純度

Moligand™, ≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%

名前と識別子

• パブケム・シド: 504752181
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752181
• カノニカル・スマイル: CNC(=O)N
• IUPAC Name: methylurea
• InChIKey: XGEGHDBEHXKFPX-UHFFFAOYSA-N
• INCHI: 1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
• 異性体SMILES: CNC(=O)N
• WGKドイツ: 3
• RTECS: YT7175000
• 代替CAS番号: 598-50-5,608090-15-9
• MeSH用語: methylurea;monomethylurea
• 分子量: 74.08
• Beilstein: 878189
• Reaxy-Rn: 878189
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878189&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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: ureas

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

化学的性質と物理的性質

• 溶解度: Solubility in water: Completely soluble; Very soluble in Methanol; Insoluble in Ether
• 感度: heat sensitive;Air sensitive;Hygroscopic
• 融点（°C）: 99°C
• 分子量: 74.080 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 74.048 Da
• Monoisotopic Mass: 74.048 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.900
• 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