Cas no 78219-34-8 (2-Piperidineethanol,1-ethyl-a-methyl-, 2-benzoate)
78219-34-8 structure
Product Name:2-Piperidineethanol,1-ethyl-a-methyl-, 2-benzoate
CAS No:78219-34-8
MF:C17H25NO2
MW:275.38590502739
CID:568723
PubChem ID:3060645
Update Time:2025-04-19
2-Piperidineethanol,1-ethyl-a-methyl-, 2-benzoate Chemical and Physical Properties
Names and Identifiers
-
- 2-Piperidineethanol,1-ethyl-a-methyl-, 2-benzoate
- 1-(1-ethyl-2-piperidyl)propan-2-yl benzoate
- 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate
- 1-Ethyl-α-methyl-2-piperidineethanol benzoate
- 2-Piperidineethanol, 1-ethyl-α-methyl-, benzoate
- AC1MI02N
- AC1Q315R
- Benzoic acid, 2-(1-ethyl-2-piperidyl)isopropyl ester
- LS-115419
- 78219-34-8
- DTXSID00999521
- 2-Piperidineethanol, 1-ethyl-alpha-methyl-, benzoate
- 1-Ethyl-alpha-methyl-2-piperidineethanol benzoate
-
- Inchi： 1S/C17H25NO2/c1-3-18-12-8-7-11-16(18)13-14(2)20-17(19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3
- InChI Key： YZVXCLPFWWTANH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C(C)CC1CCCCN1CC
Computed Properties
- Exact Mass: 275.18900
- Monoisotopic Mass: 275.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.013
- Boiling Point: 364°C at 760 mmHg
- Flash Point: 117.1°C
- Refractive Index: 1.509
- PSA: 29.54000
- LogP: 3.43430
2-Piperidineethanol,1-ethyl-a-methyl-, 2-benzoate Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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