Cas no 710272-54-1 (1-(2-Chloroethyl)-4-(4-nitrophenyl)piperazine)
710272-54-1 structure
Product Name:1-(2-Chloroethyl)-4-(4-nitrophenyl)piperazine
CAS No:710272-54-1
MF:C12H16ClN3O2
MW:269.727341651917
CID:1094702
Update Time:2024-03-05
1-(2-Chloroethyl)-4-(4-nitrophenyl)piperazine Chemical and Physical Properties
Names and Identifiers
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- 1-(2-Chloroethyl)-4-(4-nitrophenyl)piperazine
- Piperazine, 1-(2-chloroethyl)-4-(4-nitrophenyl)-
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- Inchi： 1S/C12H16ClN3O2/c13-5-6-14-7-9-15(10-8-14)11-1-3-12(4-2-11)16(17)18/h1-4H,5-10H2
- InChI Key： NULZRBUCTPOMMW-UHFFFAOYSA-N
- SMILES： N1(CCCl)CCN(C2=CC=C([N+]([O-])=O)C=C2)CC1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
Experimental Properties
- Density: 1.263±0.06 g/cm3(Predicted)
- Boiling Point: 429.0±45.0 °C(Predicted)
- pka: 5.92±0.10(Predicted)
1-(2-Chloroethyl)-4-(4-nitrophenyl)piperazine Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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