Cas no 76835-12-6 (Piperazine,1-(3-nitrophenyl)-, hydrochloride (1:2))
76835-12-6 structure
Product Name:Piperazine,1-(3-nitrophenyl)-, hydrochloride (1:2)
CAS No:76835-12-6
MF:C10H15Cl2N3O2
MW:280.151000261307
CID:548581
PubChem ID:53422122
Update Time:2025-04-19
Piperazine,1-(3-nitrophenyl)-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- Piperazine,1-(3-nitrophenyl)-, hydrochloride (1:2)
- 1-(3-nitrophenyl)piperazine,dihydrochloride
- 1-(3-NITRO-PHENYL)-PIPERAZINE DIHYDROCHLORIDE
- CTK8E0731
- KB-214003
- DTXSID90697968
- 1-(3-nitrophenyl)piperazine;dihydrochloride
- 76835-12-6
- FERROUSASCORBATE
- AKOS027383699
- 1-(3-nitrophenyl)piperazine dihydrochloride
- 1-(3-nitrophenyl)piperazine 2HCl
- 1-(3-Nitrophenyl)piperazine--hydrogen chloride (1/2)
-
- Inchi： 1S/C10H13N3O2.2ClH/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12;;/h1-3,8,11H,4-7H2;2*1H
- InChI Key： KWJPTZSGVFKSDH-UHFFFAOYSA-N
- SMILES： Cl.Cl.[O-][N+](C1=CC=CC(=C1)N1CCNCC1)=O
Computed Properties
- Exact Mass: 279.05400
- Monoisotopic Mass: 279.0541321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 223
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.1?2
Experimental Properties
- PSA: 61.09000
- LogP: 3.52540
Piperazine,1-(3-nitrophenyl)-, hydrochloride (1:2) Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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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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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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