Cas no 171608-95-0 (Ethanone, 1-(6-propyl-2-pyridinyl)- (9CI))
171608-95-0 structure
Product Name:Ethanone, 1-(6-propyl-2-pyridinyl)- (9CI)
CAS No:171608-95-0
MF:C10H13NO
MW:163.216322660446
CID:1354845
PubChem ID:45086265
Update Time:2025-04-20
Ethanone, 1-(6-propyl-2-pyridinyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(6-propyl-2-pyridinyl)- (9CI)
- 171608-95-0
- DB-287147
- SCHEMBL6898745
- Ethanone, 1-(6-propyl-2-pyridinyl)-
-
- Inchi： 1S/C10H13NO/c1-3-5-9-6-4-7-10(11-9)8(2)12/h4,6-7H,3,5H2,1-2H3
- InChI Key： OGXRWJBVRGEQGR-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC=CC(CCC)=N1
Computed Properties
- Exact Mass: 163.09979
- Monoisotopic Mass: 163.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 156
- 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: 30A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 29.96
Ethanone, 1-(6-propyl-2-pyridinyl)- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
171608-95-0 (Ethanone, 1-(6-propyl-2-pyridinyl)- (9CI)) Related Products
- 3238-55-9(2-Propionylpyridine)
- 6940-57-4(1-(6-methyl-2-pyridyl)ethanone)
- 1122-62-9(1-(pyridin-2-yl)ethan-1-one)
- 1129-30-2(2,6-Diacetylpyridine)
- 22971-32-0(2-Butyrylpyridine)
- 898779-40-3(2-Decanoylpyridine)
- 7137-97-5(1-(Pyridin-2-yl)pentan-1-one)
- 20857-21-0(2-Pyridinecarboxaldehyde,6-acetyl-)
- 60975-82-8(2-Heptanoylpyridine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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