Cas no 64822-11-3 (1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, ethyl ester)
64822-11-3 structure
Product Name:1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, ethyl ester
CAS No:64822-11-3
MF:C9H17ClN2O2
MW:220.696481466293
CID:389496
PubChem ID:201594
Update Time:2025-04-19
1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, ethyl ester
- ethyl 4-(2-chloroethyl)piperazine-1-carboxylate
- 64822-11-3
- DTXSID40276803
- SCHEMBL9242962
- QXFLHYYXOQKRBC-UHFFFAOYSA-N
- ethoxycarbonyl-4-(2-chloroethyl)-piperazine
- HN4KYX3ZG5
- 1-(2-chloroethyl)-4-(ethoxycarbonyl)piperazine
- AKOS015939050
- 4-(beta-Chloroethyl)-1-piperazinecarboxylic acid ethyl ester
-
- Inchi： 1S/C9H17ClN2O2/c1-2-14-9(13)12-7-5-11(4-3-10)6-8-12/h2-8H2,1H3
- InChI Key： QXFLHYYXOQKRBC-UHFFFAOYSA-N
- SMILES： ClCCN1CCN(C(=O)OCC)CC1
Computed Properties
- Exact Mass: 220.0978555g/mol
- Monoisotopic Mass: 220.0978555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 182
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 32.8?2
1-Piperazinecarboxylic acid, 4-(2-chloroethyl)-, ethyl ester Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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