Cas no 61985-27-1 (1-Octanone, 1-(1H-imidazol-4-yl)-)
61985-27-1 structure
Product Name:1-Octanone, 1-(1H-imidazol-4-yl)-
CAS No:61985-27-1
MF:C11H18N2O
MW:194.273422718048
CID:461512
PubChem ID:573571
Update Time:2025-04-19
1-Octanone, 1-(1H-imidazol-4-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Octanone, 1-(1H-imidazol-4-yl)-
- 1-(1H-imidazol-5-yl)octan-1-one
- OZGSUSHIJFPGRT-UHFFFAOYSA-N
- DTXSID10341517
- 1-(1H-Imidazol-5-yl)-1-octanone #
- 61985-27-1
- 1H-Imidazole, 5-octanoyl-
-
- Inchi： 1S/C11H18N2O/c1-2-3-4-5-6-7-11(14)10-8-12-9-13-10/h8-9H,2-7H2,1H3,(H,12,13)
- InChI Key： OZGSUSHIJFPGRT-UHFFFAOYSA-N
- SMILES： O=C(C1=CN=CN1)CCCCCCC
Computed Properties
- Exact Mass: 194.14204
- Monoisotopic Mass: 194.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 171
- 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: 3.1
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.75
1-Octanone, 1-(1H-imidazol-4-yl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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