Cas no 155053-12-6 (Acetamide,N-(4-cyanophenyl)-N-ethyl-)
155053-12-6 structure
Product Name:Acetamide,N-(4-cyanophenyl)-N-ethyl-
CAS No:155053-12-6
MF:C11H12N2O
MW:188.225782394409
CID:106817
PubChem ID:45120231
Update Time:2025-04-18
Acetamide,N-(4-cyanophenyl)-N-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,N-(4-cyanophenyl)-N-ethyl-
- Acetamide, N-(4-cyanophenyl)-N-ethyl-
- VLQOZETVMWIOOW-UHFFFAOYSA-N
- SCHEMBL4305897
- N-(4-cyanophenyl)-N-ethylacetamide
- 155053-12-6
-
- Inchi： 1S/C11H12N2O/c1-3-13(9(2)14)11-6-4-10(8-12)5-7-11/h4-7H,3H2,1-2H3
- InChI Key： VLQOZETVMWIOOW-UHFFFAOYSA-N
- SMILES： O=C(C)N(C1C=CC(C#N)=CC=1)CC
Computed Properties
- Exact Mass: 188.09506
- Monoisotopic Mass: 188.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 245
- 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
- Topological Polar Surface Area: 44.1A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 44.1
Acetamide,N-(4-cyanophenyl)-N-ethyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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