Cas no 24589-61-5 (Pentanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1))
24589-61-5 structure
Product Name:Pentanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
CAS No:24589-61-5
MF:C14H28ClNO2
MW:277.830623626709
CID:284240
PubChem ID:212593
Update Time:2025-04-19
Pentanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)
- 2-piperidin-1-ylethyl 2,2-dimethylpentanoate,hydrochloride
- 24589-61-5
- DTXSID30179334
- 2,2-Dimethylvaleric acid 2-piperidinoethyl ester hydrochloride
- Pentanoic acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochloride
- Valeric acid, 2,2-dimethyl-, 2-piperidinoethyl ester, hydrochloride
-
- Inchi： 1S/C14H27NO2.ClH/c1-4-8-14(2,3)13(16)17-12-11-15-9-6-5-7-10-15;/h4-12H2,1-3H3;1H
- InChI Key： FBIHMJAONMMITL-UHFFFAOYSA-N
- SMILES： Cl.O(C(C(C)(C)CCC)=O)CCN1CCCCC1
Computed Properties
- Exact Mass: 277.18104
- Monoisotopic Mass: 277.1808568g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 232
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54
Pentanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1) Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
24589-61-5 (Pentanoic acid,2,2-dimethyl-, 2-(1-piperidinyl)ethyl ester, hydrochloride (1:1)) Related Products
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