Diethyl (3-aminopropyl)phosphonate - ≥98% , CAS No.4402-24-8

CAS: 4402-24-8 Cat. No.: D694613 Peso molecular: 195.20 Número EC: 224-535-6

GRADE & PURITY ≥98%

Synonyms

(3-Aminopropyl)phosphonic acid diethyl ester | 3-Aminopropylphosphonic acid diethyl ester | 3-diethoxyphosphorylpropan-1-amine | 3-diethoxyphosphorylpropylamine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

(3-Aminopropyl)phosphonic acid diethyl ester | 3-Aminopropylphosphonic acid diethyl ester | 3-diethoxyphosphorylpropan-1-amine | 3-diethoxyphosphorylpropylamine

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, 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%

Propiedades del producto

• ALogP: -0.4

Nombres e identificadores

• Sonrisas canónicas: CCOP(=O)(CCCN)OCC
• IUPAC Name: 3-diethoxyphosphorylpropan-1-amine
• InChIKey: DQORFBNFNLHVIM-UHFFFAOYSA-N
• INCHI: 1S/C7H18NO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h3-8H2,1-2H3
• Isómeros SMILES: CCOP(=O)(CCCN)OCC
• Peso molecular: 195.20

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic phosphonic acids and derivatives
      • Subclass Phosphonic acid diesters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Peso molecular: 195.200 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 195.102 Da
• Monoisotopic Mass: 195.102 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 142.000
• 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