Potassium cyanate - analytical standard , CAS No.590-28-3

CAS: 590-28-3 Cat. No.: P111121 Summenformel: KOCN Molekulargewicht: 81.12 Beilstein Registry Number: 3594798 EG-Nummer: 209-676-3

GRADE & PURITY Analytical standard

Synonyms

HSDB 1757 | POTASSIUM CYANATE | 4-(Bromomethyl)phenyl methyl sulfone | Isocyanic acid potassium salt | Bonide krab crabgrass killer | FT-0659644 | SCHEMBL435191 | Bulpur | Ded-weed crabgrass killer | potassium-cyanate | SY006099 | NSC 146178 | UNII-G9C31T

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

HSDB 1757 | POTASSIUM CYANATE | 4-(Bromomethyl)phenyl methyl sulfone | Isocyanic acid potassium salt | Bonide krab crabgrass killer | FT-0659644 | SCHEMBL435191 | Bulpur | Ded-weed crabgrass killer | potassium-cyanate | SY006099 | NSC 146178 | UNII-G9C31T

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528772785

Kanonisches Lächeln

C(#N)[O-].[K+]

IUPAC Name

potassium;cyanate

InChIKey

GKKCIDNWFBPDBW-UHFFFAOYSA-M

INCHI

1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1

Isomere SMILES

C(#N)[O-].[K+]

WGK Deutschland

1

RTECS

GS6825000

Molekulargewicht

81.12

Beilstein

3594798

Reaxy-Rn

1098379

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098379&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organic oxoanionic compounds
      • Subclass Cyanates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organic oxoanionic compounds
• Subclass: Cyanates
• Intermediate Tree Nodes: Not available
• Direct Parent: Metal cyanates
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Metal cyanate - Organic alkali metal salt - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as metal cyanates. These are compounds containing a metal atom and a cyanate. The metal cyanate group can be in neutral or ionic form (involving a cationic metal and the anionic cyanate).
• External Descriptors: one-carbon compound - cyanate salt

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

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COLO 205 (50209 Activities)

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COLO 320 (353 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water, slightly soluble in ethanol.
• Schmelzpunkt (°C): 700-900℃
• Molekulargewicht: 81.115 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 80.9617 Da
• Monoisotopic Mass: 80.9617 Da
• Topological Polar Surface Area: 46.900 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 34.500
• 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: 2

XLogP3