1,3-Dioctadecylurea - ≥97% , CAS No.4051-66-5

CAS: 4051-66-5 Cat. No.: D469182 Fórmula: CH₃(CH₂)₁₇NHCONH(CH₂)₁₇CH₃ Peso molecular: 565.01 Número EC: 827-390-2

CALIDAD & PUREZA ≥97%

Synonyms

167726JT6B | N,N'-Dioctadecylurea | J1.432.681B | AKOS015913409 | HACKREEN SS | N,N'-Dioctadecylcarbamimidic acid | distearylurea | dioctadecylurea

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

167726JT6B | N,N'-Dioctadecylurea | J1.432.681B | AKOS015913409 | HACKREEN SS | N,N'-Dioctadecylcarbamimidic acid | distearylurea | dioctadecylurea

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528753775

Sonrisas canónicas

CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC

IUPAC Name

1,3-dioctadecylurea

InChIKey

AOZVWUCYHOWWPH-UHFFFAOYSA-N

INCHI

1S/C37H76N2O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-37(40)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H2,38,39,40)

Isómeros SMILES

CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC

WGK Alemania

3

Peso molecular

565.01

Reaxy-Rn

1808620

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1808620&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic carbonic acids and derivatives
• Subclass: Ureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Ureas
• Alternative Parents: Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Urea - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de fusión (°C): 110-112 °C (lit.)
• Peso molecular: 565.000 g/mol
• XLogP3: 17.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 564.596 Da
• Monoisotopic Mass: 564.596 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 427.000
• 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