Cas no 32058-56-3 (Pentanoic acid,2,2,4,4-tetramethyl-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1))
32058-56-3 structure
Product Name:Pentanoic acid,2,2,4,4-tetramethyl-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1)
CAS No:32058-56-3
MF:C17H34ClNO2
MW:319.910364627838
CID:318325
PubChem ID:208370
Update Time:2025-04-19
Pentanoic acid,2,2,4,4-tetramethyl-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid,2,2,4,4-tetramethyl-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1)
- 3-piperidin-1-ylpropyl 2,2,4,4-tetramethylpentanoate,hydrochloride
- 32058-56-3
- DTXSID80185869
- Pentanoic acid, 2,2,4,4-tetramethyl-, 3-piperidinopropyl ester, hydrochloride
- 3-Piperidinopropyl 2,2,4,4-tetramethylvalerate hydrochloride
- 2,2,4,4-Tetramethylvaleric acid 3-piperidinopropyl ester hydrochloride
- Valeric acid, 2,2,4,4-tetramethyl-, 3-piperidinopropyl ester, hydrochloride
-
- Inchi： 1S/C17H33NO2.ClH/c1-16(2,3)14-17(4,5)15(19)20-13-9-12-18-10-7-6-8-11-18;/h6-14H2,1-5H3;1H
- InChI Key： FMOCYBPUTGQDCN-UHFFFAOYSA-N
- SMILES： Cl.O(CCCN1CCCCC1)C(C(C)(C)CC(C)(C)C)=O
Computed Properties
- Exact Mass: 319.22802
- Monoisotopic Mass: 319.228
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 8
- Complexity: 299
- 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
- Boiling Point: 359.5°Cat760mmHg
- Flash Point: 117.6°C
- PSA: 29.54
Pentanoic acid,2,2,4,4-tetramethyl-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1) Related Literature
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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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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
32058-56-3 (Pentanoic acid,2,2,4,4-tetramethyl-, 3-(1-piperidinyl)propyl ester, hydrochloride (1:1)) Related Products
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