Cas no 13786-46-4 (2-Benzimidazoleethanol,beta-ethyl-(8CI))
13786-46-4 structure
Product Name:2-Benzimidazoleethanol,beta-ethyl-(8CI)
CAS No:13786-46-4
MF:C11H14N2O
MW:190.241662502289
CID:119928
Update Time:2023-04-03
2-Benzimidazoleethanol,beta-ethyl-(8CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazole-2-ethanol,b-ethyl-
- 2-Benzimidazoleethanol,beta-ethyl-(8CI)
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- Inchi： 1S/C11H14N2O/c1-2-8(7-14)11-12-9-5-3-4-6-10(9)13-11/h3-6,8,14H,2,7H2,1H3,(H,12,13)
- InChI Key： CMBXJPGJDHYXHX-UHFFFAOYSA-N
- SMILES： C(O)C(C1NC2=CC=CC=C2N=1)CC
Computed Properties
- Exact Mass: 190.111
- Monoisotopic Mass: 190.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 48.9A^2
2-Benzimidazoleethanol,beta-ethyl-(8CI) Related Literature
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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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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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