Isouron - 100μg/mL in Acetonitrile , CAS No.55861-78-4

CAS: 55861-78-4 Cat. No.: I694001 Fórmula: C₁₀H₁₇N₃O₂ Peso molecular: 211.26 Número EC: 611-325-8 PubChem CID: 41648

GRADE & PURITY 100μg/mL in Acetonitrile

Storage

Room temperature

Specifications

Especificaciones y pureza

100μg/mL in Acetonitrile

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 1.6

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C
• IUPAC Name: 3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea
• InChIKey: JLLJHQLUZAKJFH-UHFFFAOYSA-N
• INCHI: 1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)
• Isómeros SMILES: CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C
• PubChem CID: 41648
• Peso molecular: 211.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactams
• Alternative Parents: Isoxazoles Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - Azole - Isoxazole - Heteroaromatic compound - Carbonic acid derivative - Urea - Oxacycle - Azacycle - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
• External Descriptors: Urea herbicides

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

• Peso molecular: 211.260 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 211.132 Da
• Monoisotopic Mass: 211.132 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 55861-78-4, the molecular formula is C10H17N3O2, and the molecular weight is 211.26 g/mol. InChIKey JLLJHQLUZAKJFH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.