COMU - ≥98% , CAS No.1075198-30-9

CAS: 1075198-30-9 Cat. No.: C340003 Molecular Weight: 428.27 EC Number: 682-899-5 PubChem CID: 44471148

GRADE & PURITY ≥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

Specifications

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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-
• Isomeric SMILES: CCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N.F[P-](F)(F)(F)(F)F
• PubChem CID: 44471148
• Molecular Weight: 428.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture & heat & air sensitive
• Molecular Weight: 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

XLogP3

References

1. Weiwei Ma, Yan Zhang, Xuejing Zhai, Qian Qu, Xueying Guo, Sen Zhang, Ruiyao Hou, Ping Lu, Yanyan Yin.  (2025)  Polysarcosine-Functionalized Graphene Oxide Improves Biological Safety and Enhances Chemo-Photothermal Therapy Synergistic Anticancer Effect.  International Journal of Nanomedicine,      [PMID:41451167] [10.2147/IJN.S552175]