Cas no 183237-66-3 (1-(2-propylpentanoyl)piperidine-3-carboxylic acid)
183237-66-3 structure
Product Name:1-(2-propylpentanoyl)piperidine-3-carboxylic acid
CAS No:183237-66-3
MF:C14H25NO3
MW:255.353204488754
CID:1377077
PubChem ID:177374
Update Time:2025-04-20
1-(2-propylpentanoyl)piperidine-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-propylpentanoyl)piperidine-3-carboxylic acid
- DTXSID00939700
- 3-Piperidinecarboxylic acid, 1-(1-oxo-2-propylpentyl)-
- 183237-66-3
- AKOS015939250
-
- Inchi： 1S/C14H25NO3/c1-3-6-11(7-4-2)13(16)15-9-5-8-12(10-15)14(17)18/h11-12H,3-10H2,1-2H3,(H,17,18)
- InChI Key： GRIBBYLFYNVGME-UHFFFAOYSA-N
- SMILES： O=C(C(CCC)CCC)N1CCCC(C(=O)O)C1
Computed Properties
- Exact Mass: 255.18355
- Monoisotopic Mass: 255.183
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 6
- Complexity: 285
- 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: 2.6
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- Density: 1.062
- Boiling Point: 426.2°C at 760 mmHg
- Flash Point: 211.5°C
- Refractive Index: 1.491
- PSA: 57.61
1-(2-propylpentanoyl)piperidine-3-carboxylic acid Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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