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

CAS: 598-94-7 Cat. No.: D155381 分子式: C₃H₈N₂O 分子量: 88.11 Beilstein Registry Number: 4(4)224 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488181417

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488181417

カノニカル・スマイル

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)

異性体SMILES

CN(C)C(=O)N

WGKドイツ

3

RTECS

YS9867985

分子量

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
    • 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: Soluble in water; Slightly soluble in Alcohol
• 融点（°C）: 182 °C(dec.)
• 分子量: 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

よくある質問

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.