Ácido dietilentriaminopentakis(metilfosfónico) (DTPMP) - 50% en agua , CAS No.15827-60-8

CAS: 15827-60-8 Cat. No.: D115349 Peso molecular: 573.2 Beilstein Registry Number: 2068968 Número EC: 239-931-4

GRADE & PURITY 50% in water

Synonyms

Dietilentriaminopenta(ácido metilenfosfónico) | Dietilentriamina-N,N,N′,N′′,N′′-pentakis(ácido metilenfosfónico) | Dietilentriamina-N,N,N′,N′′,N′′-penta(ácido metilenfosfónico) | Dietilenetriaminapenta(ácido metilenfosfónico) | Etilenetria

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Dietilentriaminopenta(ácido metilenfosfónico) | Dietilentriamina-N, N, N′, N′′, N′′-pentakis(ácido metilenfosfónico) | Dietilentriamina-N, N, N′, N′′, N′′-penta(ácido metilenfosfónico) | Dietilenetriaminapenta(ácido metilenfosfónico) | Etilenetria

Especificaciones y pureza

50% en agua

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 488186298
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186298
• Sonrisas canónicas: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
• IUPAC Name: [bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
• InChIKey: DUYCTCQXNHFCSJ-UHFFFAOYSA-N
• INCHI: 1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
• Isómeros SMILES: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
• Número ONU: 1789
• Peso molecular: 573.2
• Beilstein: 2068968
• Reaxy-Rn: 2068968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2068968&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

Propiedades químicas y físicas

• Peso molecular: 573.200 g/mol
• XLogP3: -15.100
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 16
• Exact Mass: 573.021 Da
• Monoisotopic Mass: 573.021 Da
• Topological Polar Surface Area: 297.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 720.000
• 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

Referencias

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