Tetramethylurea - analytical standard , CAS No.632-22-4

CAS: 632-22-4 Cat. No.: T110883 分子式: C₅H₁₂N₂O 分子量: 116.16 Beilstein Registry Number: 773898 EC番号: 211-173-9

GRADE & PURITY Analytical standard

Synonyms

Urea, tetramethyl- | Q26699773 | 4-04-00-00225 (Beilstein Handbook Reference) | Urea, 1,1,3,3-tetramethyl- | Tetramethylurea, 99% | UREA,1,1,3,3-TETRAMETHYL | BRN 0773898 | D70479 | n,n,n',n',-tetramethyl urea | urea, N,N,N',N'-tetramethyl- | N,N,N',N'-te

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Urea, tetramethyl- | Q26699773 | 4-04-00-00225 (Beilstein Handbook Reference) | Urea, 1,1,3,3-tetramethyl- | Tetramethylurea, 99% | UREA,1,1,3,3-TETRAMETHYL | BRN 0773898 | D70479 | n,n,n',n',-tetramethyl urea | urea, N,N,N',N'-tetramethyl- | N,N,N',N'-te

仕様と純度

analytical standard

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

名前と識別子

カノニカル・スマイル

CN(C)C(=O)N(C)C

IUPAC Name

1,1,3,3-tetramethylurea

InChIKey

AVQQQNCBBIEMEU-UHFFFAOYSA-N

INCHI

1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3

異性体SMILES

CN(C)C(=O)N(C)C

WGKドイツ

3

RTECS

YU2625000

分子量

116.16

Beilstein

773898

Reaxy-Rn

773898

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.4496-1.4516
• 引火点（°F）: 167 °F
• 引火点（°C）: 75℃
• 沸点（°C）: 174-178°C
• 融点（°C）: -1°C
• 分子量: 116.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.095 Da
• Monoisotopic Mass: 116.095 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 78.400
• 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