Cas no 50508-32-2 (Acetamide, N,N-diethyl-2-(4-nitrophenoxy)-)
50508-32-2 structure
Product Name:Acetamide, N,N-diethyl-2-(4-nitrophenoxy)-
CAS No:50508-32-2
MF:C12H16N2O4
MW:252.266443252563
CID:364769
PubChem ID:4501660
Update Time:2025-04-19
Acetamide, N,N-diethyl-2-(4-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide, N,N-diethyl-2-(4-nitrophenoxy)-
- N,N-diethyl-2-(4-nitrophenoxy)acetamide
- AKOS003579649
- 50508-32-2
- DTXSID80403737
- Oprea1_107243
-
- Inchi： 1S/C12H16N2O4/c1-3-13(4-2)12(15)9-18-11-7-5-10(6-8-11)14(16)17/h5-8H,3-4,9H2,1-2H3
- InChI Key： XUBQMWDJQRVHLD-UHFFFAOYSA-N
- SMILES： O(C1C=CC(=CC=1)[N+](=O)[O-])CC(N(CC)CC)=O
Computed Properties
- Exact Mass: 252.11108
- Monoisotopic Mass: 252.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.1
- Topological Polar Surface Area: 75.4?2
Experimental Properties
- PSA: 72.68
Acetamide, N,N-diethyl-2-(4-nitrophenoxy)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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