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

CAS: 634-95-7 Cat. No.: D155382 Peso molecular: 116.16 Beilstein Registry Number: 4(4)380 Número EC: 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

Descripción general

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

Sinónimos

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,

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504752350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752350
• Sonrisas canónicas: 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)
• Isómeros SMILES: CCN(CC)C(=O)N
• WGK Alemania: 3
• RTECS: YS9353900
• Peso molecular: 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
    • 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: 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
• 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

• Solubilidad: water: soluble 50 g/L, clear
• Sensibilidad: Moisture sensitive
• Punto de ebullición (°C): 130°C/3mmHg(lit.)
• Punto de fusión (°C): 68 °C
• Peso molecular: 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