Acetamide, N,N'-1,2-ethanediylbis[2-phenoxy- structure

3D Mol Similar

Acetamide, N,N'-1,2-ethanediylbis[2-phenoxy-

: Iupac Name：2-phenoxy-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide; CAS No.: 89806-94-0; Molecular Weight：328.368; Modify Date.: 2023-02-18 10:20

Request For Quotation

1. Names and Identifiers

: 1.1 Name; Acetamide, N,N'-1,2-ethanediylbis[2-phenoxy-; 1.2 Synonyms; 2-phenoxy-n-[2-(2-phenoxyacetamido)ethyl]acetamide 2-phenoxy-N-[2-(2-phenoxyacetylamino)ethyl]acetamide 2-phenoxy-n-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide AC1LUI78 ACMC-20LQLJ AKOS002256690 CTK2J0214 DTXSID00364513 MCULE-4999537799 N,N'-(Ethane-1,2-diyl)bis(2-phenoxyacetamide) N,N'-1,2-Ethanediylbis(2-phenoxyacetamide) n,n'-ethane-1,2-diylbis(2-phenoxyacetamide) OR367724 ST50196367 STK947796 ZINC1794694; View all

1.3 CAS No.: 89806-94-0

1.4 CID: 1581760

1.5 Molecular Formula: C18H20N2O4 (isomer)

1.6 Inchi: InChI=1S/C18H20N2O4/c21-17(13-23-15-7-3-1-4-8-15)19-11-12-20-18(22)14-24-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,19,21)(H,20,22)

1.7 InChIkey: VXWNVWSXENXRDR-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)OCC(=O)NCCNC(=O)COC2=CC=CC=C2

1.9 Isomers Smiles: C1=CC=C(C=C1)OCC(=O)NCCNC(=O)COC2=CC=CC=C2

2. Properties

2.1 Density: 1.2±0.1 g/cm3 (Predicted)

2.1 Boiling point: 643.8±50.0 C at 760 mmHg (Predicted)

2.1 Refractive index: 1.562 (Predicted)

2.1 Flash Point: 343.2±30.1 C (Predicted)

2.1 PSA: 83.64000

2.1 logP: 2.13 (Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

4. Synthesis Route

89806-94-0Total: 2 Synthesis Route

107-15-3

701-99-5 50 Suppliers

89806-94-0

Literatures:
Borowitz, Irving J.; Readio, Josephine D.; Li, Ven-Shun Tetrahedron, 1984 , vol. 40, # 6 p. 1009 - 1016
Yield: ~74%

107-15-3

122-59-8 174 Suppliers

89806-94-0

Literatures:
Hill; Johnston Journal of the American Chemical Society, 1954 , vol. 76, p. 920
Yield: null

5. Precursor and Product

precursor:

701-99-5

122-59-8

6. Computational chemical data

Molecular Weight: 328.368g/mol
Molecular Formula: C₁₈H₂₀N₂O₄
Compound Is Canonicalized: True
XLogP3-AA: 2.3
Exact Mass: 328.14230712
Monoisotopic Mass: 328.14230712
Complexity: 341
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 76.7
Heavy Atom Count: 24
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAACAThkAYwBoLABACIACFSEAICCAAgIAAIiIBOCIgOZiKEMR6TOCCk1hGYqAeAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Realated Product Infomation

692-93-3 Acetamide, N,N'-1,2-ethanediylbis[2-mercapto-

70277-15-5 Acetamide,2,2'-[1,2-ethanediylbis(oxy)]bis[N,N-dibutyl-

4405-22-5 1,2-ETHANEDIYLBIS(METHYLSILANE)

111915-68-5 Acetamide,N,N'-1,2-ethanediylbis[2-[[(2-propen-1-ylamino)thioxomethyl]amino]-

25940-46-9 3,3'-[1,2-Ethanediylbis(oxy)]bisbenzenamine

5518-18-3 Hexadecanamide,N,N'-1,2-ethanediylbis-

7003-56-7 Dodecanamide, N,N-1,2-ethanediylbis-

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