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

CAS: 632-22-4 Cat. No.: T110883 Formule: C₅H₁₂N₂O Poids moléculaire: 116.16 Beilstein Registry Number: 773898 Numéro CE: 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

Synonymes

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

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Analytical standard

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

YU2625000

Poids moléculaire

116.16

Beilstein

773898

Reaxy-Rn

773898

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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Indice de réfraction: 1.4496-1.4516
• Point d'éclair (°F): 167 °F
• Point d'éclair (°C): 75℃
• Point d'ébullition (°C): 174-178°C
• Point de fusion (°C): -1°C
• Poids moléculaire: 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