1,1-Diethylurea - ≥98%(T) , CAS No.634-95-7

CAS: 634-95-7 Cat. No.: D155382 分子式: C₅H₁₂N₂O 分子量: 116.16 Beilstein Registry Number: 4(4)380 EC番号: 211-220-3

GRADE & PURITY ≥98%(T)

Synonyms

D1567 | DTXSID3060900 | 3,3-diethylurea | Urea,1-diethyl- | Urea,N-diethyl- | N,N-Diethylurea | TUMNHQRORINJKE-UHFFFAOYSA-N | Urea, N,N-diethyl- | SCHEMBL11769258 | 1,1-Diethylurea, 97% | AI3-61341 | D89884 | FT-0606115 | NSC165657 | NSC-165657 | UREA, 1,

Storage

Argon charged,Room temperature

Shipped In

Normal

概要

1,1-Diethylurea forms molecular adduct with nitro-substituted aromatic carboxylic acids. Adduct hydrate of 1,1-diethylurea with pyrazine-2,3-dicarboxylic acid has been prepared and characterized using low-temperature single-crystal X-ray diffraction methods.

Specifications

同義語

D1567 | DTXSID3060900 | 3,3-diethylurea | Urea,1-diethyl- | Urea,N-diethyl- | N,N-Diethylurea | TUMNHQRORINJKE-UHFFFAOYSA-N | Urea, N,N-diethyl- | SCHEMBL11769258 | 1,1-Diethylurea, 97% | AI3-61341 | D89884 | FT-0606115 | NSC165657 | NSC-165657 | UREA, 1,

仕様と純度

≥98%(T)

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%(T)

名前と識別子

• パブケム・シド: 504752350
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504752350
• カノニカル・スマイル: CCN(CC)C(=O)N
• IUPAC Name: 1,1-diethylurea
• InChIKey: TUMNHQRORINJKE-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2O/c1-3-7(4-2)5(6)8/h3-4H2,1-2H3,(H2,6,8)
• 異性体SMILES: CCN(CC)C(=O)N
• WGKドイツ: 3
• RTECS: YS9353900
• 分子量: 116.16
• Beilstein: 4(4)380
• Reaxy-Rn: 1747730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747730&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: 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

化学的性質と物理的性質

• 溶解度: water: soluble 50 g/L, clear
• 感度: Moisture sensitive
• 沸点（°C）: 130°C/3mmHg(lit.)
• 融点（°C）: 68 °C
• 分子量: 116.160 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 116.095 Da
• Monoisotopic Mass: 116.095 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.500
• 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

よくある質問

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 634-95-7, the molecular formula is C5H12N2O, and the molecular weight is 116.16 g/mol. InChIKey TUMNHQRORINJKE-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.