Cas no 139655-09-7 (2-piperazin-1-ylethanamine 4-methylbenzenesulfonate)
139655-09-7 structure
Product Name:2-piperazin-1-ylethanamine 4-methylbenzenesulfonate
CAS No:139655-09-7
MF:C13H23N3O3S
MW:301.405021905899
CID:1277917
PubChem ID:21799567
Update Time:2025-04-20
2-piperazin-1-ylethanamine 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 2-piperazin-1-ylethanamine 4-methylbenzenesulfonate
- 1-piperazineethanamine, 4-methylbenzenesulfonate (1:1)
- 2-(Piperazin-1-yl)ethanamine 4-methylbenzenesulfonate (1:1)
- LogP
- 4-methylbenzenesulfonic acid,2-piperazin-1-ylethanamine
- 4-Methylbenzene-1-sulfonic acid--2-(piperazin-1-yl)ethan-1-amine (1/1)
- 1-Piperazineethanamine, mono(4-methylbenzenesulfonate)
- DTXSID10930526
- OKXOOMDBVFURDQ-UHFFFAOYSA-N
- SCHEMBL8617652
- 139655-09-7
-
- Inchi： 1S/C7H8O3S.C6H15N3/c1-6-2-4-7(5-3-6)11(8,9)10;7-1-4-9-5-2-8-3-6-9/h2-5H,1H3,(H,8,9,10);8H,1-7H2
- InChI Key： OKXOOMDBVFURDQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.N1(CCN)CCNCC1
Computed Properties
- Exact Mass: 301.14619
- Monoisotopic Mass: 301.14601278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 275
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 104?2
Experimental Properties
- Boiling Point: 505.4°C at 760 mmHg
- Flash Point: 259.4°C
- PSA: 95.66
2-piperazin-1-ylethanamine 4-methylbenzenesulfonate Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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4. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
139655-09-7 (2-piperazin-1-ylethanamine 4-methylbenzenesulfonate) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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