Cas no 77580-36-0 (Ethanone,2-chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]-)
![Ethanone,2-chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]- structure](https://ossimg.kuujia.com/scimg/78000/77580-36-0x500.png)
77580-36-0 structure
Product Name:Ethanone,2-chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]-
CAS No:77580-36-0
MF:C8H15ClN2O2
MW:206.669901132584
CID:550377
PubChem ID:2757607
Update Time:2025-04-19
Ethanone,2-chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]-
- 1-Piperazineethanol,4-(chloroacetyl)- (9CI)
- 2-Chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]ethanone
- 1-Piperazineethanol,4-(chloroacetyl)-(9ci)
- DTXSID401216456
- AKOS002664724
- 77580-36-0
-
- Inchi： 1S/C8H15ClN2O2/c9-7-8(13)11-3-1-10(2-4-11)5-6-12/h12H,1-7H2
- InChI Key： GTPBAYNQHIBLAI-UHFFFAOYSA-N
- SMILES： ClCC(N1CCN(CCO)CC1)=O
Computed Properties
- Exact Mass: 206.08235
- Monoisotopic Mass: 206.0822054g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 170
- 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: -0.5
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.78
Ethanone,2-chloro-1-[4-(2-hydroxyethyl)-1-piperazinyl]- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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