Cas no 858643-93-3 (1-Piperidinecarboxylic acid, 3-(2,2-dicyano-1-methylethenyl)-,1,1-dimethylethyl ester)
858643-93-3 structure
Product Name:1-Piperidinecarboxylic acid, 3-(2,2-dicyano-1-methylethenyl)-,1,1-dimethylethyl ester
CAS No:858643-93-3
MF:C15H21N3O2
MW:275.346143484116
CID:1841511
PubChem ID:140027779
Update Time:2025-04-21
1-Piperidinecarboxylic acid, 3-(2,2-dicyano-1-methylethenyl)-,1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-Piperidinecarboxylic acid, 3-(2,2-dicyano-1-methylethenyl)-,1,1-dimethylethyl ester
- 1,1-Dimethylethyl 3-(2,2-dicyano-1-methylethenyl)-1-piperidinecarboxylate
- DTXSID801146695
- 858643-93-3
-
- Inchi： 1S/C15H21N3O2/c1-11(13(8-16)9-17)12-6-5-7-18(10-12)14(19)20-15(2,3)4/h12H,5-7,10H2,1-4H3
- InChI Key： HDNRHGJEEIELOU-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCCC(/C(=C(\C#N)/C#N)/C)C1)=O
Computed Properties
- Exact Mass: 275.16337692g/mol
- Monoisotopic Mass: 275.16337692g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 492
- 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: 2.4
- Topological Polar Surface Area: 77.1?2
1-Piperidinecarboxylic acid, 3-(2,2-dicyano-1-methylethenyl)-,1,1-dimethylethyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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