Diphenyl (N-Methoxy-N-methylcarbamoylmethyl)phosphonate - ≥95% , CAS No.367508-01-8

CAS: 367508-01-8 Cat. No.: D155188 Molecular Weight: 335.3

GRADE & PURITY ≥95%

Synonyms

(N-Methoxy-N-methylcarbamoylmethyl)phosphonic Acid Diphenyl Ester | D3709 | A913648 | 2-diphenoxyphosphoryl-N-methoxy-N-methylacetamide | SCHEMBL3626452 | MFCD30186043 | DTXSID00476140 | Diphenyl (N-Methoxy-N-methylcarbamoylmethyl)phosphonate | Diphenyl(2

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(N-Methoxy-N-methylcarbamoylmethyl)phosphonic Acid Diphenyl Ester | D3709 | A913648 | 2-diphenoxyphosphoryl-N-methoxy-N-methylacetamide | SCHEMBL3626452 | MFCD30186043 | DTXSID00476140 | Diphenyl (N-Methoxy-N-methylcarbamoylmethyl)phosphonate | Diphenyl(2

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766891
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766891
• Canonical Smiles: CN(C(=O)CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)OC
• IUPAC Name: 2-diphenoxyphosphoryl-N-methoxy-N-methylacetamide
• InChIKey: CFSFGLDTIDFDMT-UHFFFAOYSA-N
• INCHI: 1S/C16H18NO5P/c1-17(20-2)16(18)13-23(19,21-14-9-5-3-6-10-14)22-15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
• Isomeric SMILES: CN(C(=O)CP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)OC
• Molecular Weight: 335.3
• Reaxy-Rn: 8845202
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8845202&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Phosphonic acid diesters Phosphonic acid esters Carboxylic acids and derivatives Organophosphorus compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phosphonic acid diester - Phosphonic acid ester - Organophosphonic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

• Molecular Weight: 335.290 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 335.092 Da
• Monoisotopic Mass: 335.092 Da
• Topological Polar Surface Area: 65.099 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 395.000
• 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