Cas no 40782-26-1 (Benzamide,3-(1,1-dimethylethyl)-)
40782-26-1 structure
Product Name:Benzamide,3-(1,1-dimethylethyl)-
CAS No:40782-26-1
MF:C11H15NO
MW:177.242902994156
CID:333626
PubChem ID:257963
Update Time:2025-04-19
Benzamide,3-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,3-(1,1-dimethylethyl)-
- 40782-26-1
- 3-tert-Butylbenzene-1-carboximidic acid
- NCIOpen2_001107
- NSC-86593
- SCHEMBL179447
- DTXSID10961198
- 3-tert-butylbenzamide
- TS-02464
- NSC86593
- AKOS006289649
-
- Inchi： 1S/C11H15NO/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H2,12,13)
- InChI Key： VYZIRLYFWZFTRE-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CC(=C1)C(C)(C)C)N
Computed Properties
- Exact Mass: 177.11500
- Monoisotopic Mass: 177.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 193
- 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: 2.5
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09000
- LogP: 2.78330
Benzamide,3-(1,1-dimethylethyl)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
40782-26-1 (Benzamide,3-(1,1-dimethylethyl)-) Related Products
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