Ethylenebis(nitrilodimethylene)tetraphosphonic acid - ≥95% , CAS No.1429-50-1

CAS: 1429-50-1 Cat. No.: E409435 Fórmula: C₆H₂₀N₂O₁₂P₄ Peso molecular: 436.12 Número EC: 215-851-5

GRADE & PURITY ≥95%

Synonyms

(Ethylenedinitrilo)-tetramethylenephosphonic acid | AKOS000365812 | Hexasodium dihydrogen (ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonate | N,N,N',N'-Ethylenediaminetetrakis(methylenephosphonic Acid) | DTXSID3061689 | NFDRPXJGHKJRLJ-UHFFFAO

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(Ethylenedinitrilo)-tetramethylenephosphonic acid | AKOS000365812 | Hexasodium dihydrogen (ethane-1,2-diylbis(nitrilobis(methylene)))tetrakisphosphonate | N,N,N',N'-Ethylenediaminetetrakis(methylenephosphonic Acid) | DTXSID3061689 | NFDRPXJGHKJRLJ-UHFFFAO

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504752625

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752625

Sonrisas canónicas

C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O

IUPAC Name

[2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid

InChIKey

NFDRPXJGHKJRLJ-UHFFFAOYSA-N

INCHI

1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)

Isómeros SMILES

C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O

WGK Alemania

1

Peso molecular

436.12

Reaxy-Rn

1810320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1810320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Organic phosphonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Organic phosphonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
• 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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Punto de fusión (°C): 215-217°C
• Peso molecular: 436.120 g/mol
• XLogP3: -11.200
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 435.997 Da
• Monoisotopic Mass: 435.997 Da
• Topological Polar Surface Area: 237.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 486.000
• 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

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1429-50-1, the molecular formula is C6H20N2O12P4, and the molecular weight is 436.12 g/mol. InChIKey NFDRPXJGHKJRLJ-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.