Cas no 32051-68-6 (Hexanoic acid,2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester)
32051-68-6 structure
Product Name:Hexanoic acid,2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester
CAS No:32051-68-6
MF:C17H33NO2
MW:283.449425458908
CID:314283
PubChem ID:36051
Update Time:2025-04-19
Hexanoic acid,2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester
- HEXANOIC ACID, 2-ETHYL-2-METHYL-, 3-PIPERIDINOPROPYL ESTER
- 3-piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate
- DTXSID30275380
- 32051-68-6
-
- Inchi： 1S/C17H33NO2/c1-4-6-11-17(3,5-2)16(19)20-15-10-14-18-12-8-7-9-13-18/h4-15H2,1-3H3
- InChI Key： BFQVQBCLVWGWNC-UHFFFAOYSA-N
- SMILES： O(CCCN1CCCCC1)C(C(C)(CC)CCCC)=O
Computed Properties
- Exact Mass: 283.25129
- Monoisotopic Mass: 283.251129
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 274
- 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
- Topological Polar Surface Area: 29.5
- XLogP3: 4.6
Experimental Properties
- Density: 0.933
- Boiling Point: 368.4°Cat760mmHg
- Flash Point: 119.7°C
- Refractive Index: 1.465
- PSA: 29.54
Hexanoic acid,2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
32051-68-6 (Hexanoic acid,2-ethyl-2-methyl-, 3-(1-piperidinyl)propyl ester) Related Products
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- 37675-18-6(Ethyl (3S)-piperidine-3-carboxylate)
- 103039-88-9(Ethyl 4-methylpiperidine-4-carboxylate)
- 5166-67-6(Ethyl 1-Methylpiperidine-3-carboxylate)
- 170843-43-3(Ethyl 3-methylpiperidine-3-carboxylate)
- 1126-09-6(Ethyl piperidine-4-carboxylate)
- 24252-37-7(Ethyl 1-methylpiperidine-4-carboxylate)
- 1690-72-8(Methyl 1-methylpiperidine-3-carboxylate)
- 5006-62-2(Ethyl piperidine-3-carboxylate)
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