3-(Dimethylphosphono)-N-methylolpropionamide - ≥80% , CAS No.20120-33-6

CAS: 20120-33-6 Cat. No.: D302710 Molecular Weight: 211.16 EC Number: 243-528-9

GRADE & PURITY ≥80%

Synonyms

3-(Dimethylphosphono)-N-methylolpropionamide|20120-33-6|3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide|Dimethyl (3-((hydroxymethyl)amino)-3-oxopropyl)phosphonate|ODS75TAJ4V|Pyrovatex CP|Phosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

3-(Dimethylphosphono)-N-methylolpropionamide | 20120-33-6 | 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide | Dimethyl (3-((hydroxymethyl)amino)-3-oxopropyl)phosphonate | ODS75TAJ4V | Pyrovatex CP | Phosphonic acid, (3-((hydroxymethyl)amino)-3-oxopropyl)-, dimethy

Specifications & Purity

≥80%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥80%

Names and Identifiers

• Pubchem Sid: 504753408
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753408
• Canonical Smiles: COP(=O)(CCC(=O)NCO)OC
• IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamide
• InChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-N
• INCHI: 1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
• Isomeric SMILES: COP(=O)(CCC(=O)NCO)OC
• Molecular Weight: 211.16
• Reaxy-Rn: 30173040
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30173040&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Phosphonic acid diesters
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl alkylphosphonates
• Alternative Parents: Phosphonic acid esters Secondary carboxylic acid amides Alkanolamines Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl alkylphosphonate - Phosphonic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Alkanolamine - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Aliphatic acyclic compound
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 419.2°C
• Molecular Weight: 211.150 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 211.061 Da
• Monoisotopic Mass: 211.061 Da
• Topological Polar Surface Area: 84.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 199.000
• 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