Cas no 651054-06-7 (1-Piperidinecarboxylic acid, 4-(1-methylpentyl)-, 1,1-dimethylethyl ester)
651054-06-7 structure
Product Name:1-Piperidinecarboxylic acid, 4-(1-methylpentyl)-, 1,1-dimethylethyl ester
CAS No:651054-06-7
MF:C16H31NO2
MW:269.422845125198
CID:407069
PubChem ID:71377079
Update Time:2025-04-19
1-Piperidinecarboxylic acid, 4-(1-methylpentyl)-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-Piperidinecarboxylic acid, 4-(1-methylpentyl)-, 1,1-dimethylethyl ester
- tert-butyl 4-hexan-2-ylpiperidine-1-carboxylate
- 651054-06-7
- DTXSID90799739
- tert-Butyl 4-(hexan-2-yl)piperidine-1-carboxylate
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- Inchi： 1S/C16H31NO2/c1-6-7-8-13(2)14-9-11-17(12-10-14)15(18)19-16(3,4)5/h13-14H,6-12H2,1-5H3
- InChI Key： ARZDWNVCMHPHEK-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(N1CCC(CC1)C(C)CCCC)=O
Computed Properties
- Exact Mass: 269.23563
- Monoisotopic Mass: 269.235479232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 275
- 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: 4.8
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
1-Piperidinecarboxylic acid, 4-(1-methylpentyl)-, 1,1-dimethylethyl ester Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
651054-06-7 (1-Piperidinecarboxylic acid, 4-(1-methylpentyl)-, 1,1-dimethylethyl ester) Related Products
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