PyOxim - ≥98% , CAS No.153433-21-7

CAS: 153433-21-7 Cat. No.: P196188 분자식: C₁₇H₂₉F₆N₅O₃P₂ 분자량: 527.38 EC 번호: 663-448-1 PubChem CID: 46910530

등급 & 순도 ≥98%

Synonyms

[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium;hexafluorophosphate|(E)-(((1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V)|[cyano-(ethoxycarbonyl)methyleneaminooxy]tris(1-pyrrolidinyl)phosphonium hexafluorophosphate|(Ethyl cyano(hydroxyimino)acetato)-tri-(1-pyrrolidinyl)-phosphonium hexafluorophosphate|PyOxim|pyoxime|[Ethyl cyano(hydroxyimino)acetato-O2]tri-1-pyrrolidinylphosphonium hexafluorophosphate

Storage

Store at 2-8°C

Shipped In

Wet ice

사양

동의어

[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium;hexafluorophosphate | (E)-(((1-Cyano-2-ethoxy-2-oxoethylidene)amino)oxy)tri(pyrrolidin-1-yl)phosphonium hexafluorophosphate(V) | [cyano-(ethoxycarbonyl)methyleneaminooxy]tris(1-pyrrolidinyl)phosphonium hexafluorophosphate | (Ethyl cyano(hydroxyimino)acetato)-tr Show more

사양 및 순도

≥98%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

Pubchem Sid

504770856

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770856

정식 스마일

CCOC(=O)C(=NO[P+](N1CCCC1)(N2CCCC2)N3CCCC3)C#N.F[P-](F)(F)(F)(F)F

IUPAC Name

[(E)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-tripyrrolidin-1-ylphosphanium;hexafluorophosphate

InChIKey

RDWDVLFMPFUBDV-PXMDEAMVSA-N

INCHI

1S/C17H29N5O3P.F6P/c1-2-24-17(23)16(15-18)19-25-26(20-9-3-4-10-20,21-11-5-6-12-21)22-13-7-8-14-22;1-7(2,3,4,5)6/h2-14H2,1H3;/q+1;-1/b19-16+;

이성체 SMILES

CCOC(=O)/C(=N/O[P+](N1CCCC1)(N2CCCC2)N3CCCC3)/C#N.F[P-](F)(F)(F)(F)F

WGK 독일

3

PubChem CID

46910530

분자량

527.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic cation - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• 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

화학 및 물리적 특성

• 분자량: 527.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 527.165 Da
• Monoisotopic Mass: 527.165 Da
• Topological Polar Surface Area: 81.400 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 594.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 153433-21-7, the molecular formula is C17H29F6N5O3P2, and the molecular weight is 527.38 g/mol. InChIKey RDWDVLFMPFUBDV-PXMDEAMVSA-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.