O,N,N'-Triisopropylisourea - ≥98% , CAS No.63460-32-2

CAS: 63460-32-2 Cat. No.: O405013 Peso molecular: 186.3

GRADE & PURITY ≥98%

Synonyms

Carbamimidic acid, N,N'-bis(1-methylethyl)-, 1-methylethyl ester | DTXSID00462609 | N,N'-Diisopropylcarbamimidic Acid Isopropyl Ester | O,N,N'-Triisopropylisourea | O,N,N-Triisopropylisourea | RHNDDRWPYPWKNW-UHFFFAOYSA-N | propan-2-yl N,N'-di(propan-2-yl)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

Carbamimidic acid, N, N'-bis(1-methylethyl)-, 1-methylethyl ester | DTXSID00462609 | N, N'-Diisopropylcarbamimidic Acid Isopropyl Ester | O, N, N'-Triisopropylisourea | O, N, N-Triisopropylisourea | RHNDDRWPYPWKNW-UHFFFAOYSA-N | propan-2-yl N, N'-di(propan-2-yl)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488197406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197406
• Sonrisas canónicas: CC(C)NC(=NC(C)C)OC(C)C
• IUPAC Name: propan-2-yl N,N'-di(propan-2-yl)carbamimidate
• InChIKey: RHNDDRWPYPWKNW-UHFFFAOYSA-N
• INCHI: 1S/C10H22N2O/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H,11,12)
• Isómeros SMILES: CC(C)NC(=NC(C)C)OC(C)C
• Peso molecular: 186.3
• Reaxy-Rn: 1760555
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1760555&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboximidic acids and derivatives
      • Subclass Carboximidic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboximidic acids and derivatives
• Subclass: Carboximidic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoureas
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Isourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoureas. These are organic compounds containing the isourea group, with the general structure R1N(R2)C(=NR3)OR4, or its hydrocarbyl derivatives (R1,R2,R3,R4=H, alkyl, aryl).
• 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

• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.43
• Punto de inflamación (°C): 128 °C
• Punto de ebullición (°C): 67 °C/10 mmHg
• Peso molecular: 186.290 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 186.173 Da
• Monoisotopic Mass: 186.173 Da
• Topological Polar Surface Area: 33.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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