Cas no 29981-96-2 (1H-Benzimidazole-2-propanol,gamma-methyl-(9CI))
29981-96-2 structure
Product Name:1H-Benzimidazole-2-propanol,gamma-methyl-(9CI)
CAS No:29981-96-2
MF:C11H14N2O
MW:190.241662502289
CID:240648
Update Time:2023-03-30
1H-Benzimidazole-2-propanol,gamma-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole-2-propanol,g-methyl-
- 3-(1H-Benzimidazol-2-yl)butan-1-ol
- 1H-Benzimidazole-2-propanol,gamma-methyl-(9CI)
-
- Inchi： 1S/C11H14N2O/c1-8(6-7-14)11-12-9-4-2-3-5-10(9)13-11/h2-5,8,14H,6-7H2,1H3,(H,12,13)
- InChI Key： NAACYAVFMWYENA-UHFFFAOYSA-N
- SMILES： C(O)CC(C1NC2=CC=CC=C2N=1)C
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
1H-Benzimidazole-2-propanol,gamma-methyl-(9CI) Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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