COMU - ≥98% , CAS No.1075198-30-9

CAS: 1075198-30-9 Cat. No.: C340003 Fórmula: C₁₂H₁₉F₆N₄O₄P Peso molecular: 428.27 Número EC: 682-899-5 PubChem CID: 44471148

CALIDAD & PUREZA ≥98%

Synonyms

(Z)-4-(6-Cyano-2-methyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-ylidene)morpholin-4-ium hexafluorophosphate(V) | COMU(R) | DTXSID10659200 | 1075198-30-9 | MFCD24368564 | (2-ALLYLSULFANYL-BENZOIMIDAZOL-1-YL)-ACETICACID | S-1075198-30-9 | SCHEMBL21465366 | (1-C

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

(Z)-4-(6-Cyano-2-methyl-7-oxo-4,8-dioxa-2,5-diazadec-5-en-3-ylidene)morpholin-4-ium hexafluorophosphate(V) | COMU(R) | DTXSID10659200 | 1075198-30-9 | MFCD24368564 | (2-ALLYLSULFANYL-BENZOIMIDAZOL-1-YL)-ACETICACID | S-1075198-30-9 | SCHEMBL21465366 | (1-C

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

508810381

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508810381

Sonrisas canónicas

CCOC(=O)C(=NOC(=[N+](C)C)N1CCOCC1)C#N.F[P-](F)(F)(F)(F)F

IUPAC Name

[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate

InChIKey

GPDHNZNLPKYHCN-DZOOLQPHSA-N

INCHI

1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;

Isómeros SMILES

CCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N.F[P-](F)(F)(F)(F)F

PubChem CID

44471148

Peso molecular

428.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazinanes
• Subclass: Morpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Morpholines
• Alternative Parents: Tertiary amines Amino acids and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboximidic acids and derivatives Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Morpholine - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboximidic acid derivative - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic salt - Cyanide - Amine - Hydrocarbon derivative - Organic cation - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively.
• 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 & heat & air sensitive
• Peso molecular: 428.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 428.105 Da
• Monoisotopic Mass: 428.105 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 516.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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