Cas no 916739-34-9 (4-[(4-METHYL-1-PIPERAZINYL)METHYL]-BENZENAMINE TRIHYDROCHLORIDE)
![4-[(4-METHYL-1-PIPERAZINYL)METHYL]-BENZENAMINE TRIHYDROCHLORIDE structure](https://ossimg.kuujia.com/scimg/917000/916739-34-9x500.png)
916739-34-9 structure
Product Name:4-[(4-METHYL-1-PIPERAZINYL)METHYL]-BENZENAMINE TRIHYDROCHLORIDE
CAS No:916739-34-9
MF:C12H22Cl3N3
MW:314.682179927826
CID:996840
PubChem ID:73012686
Update Time:2025-04-20
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-BENZENAMINE TRIHYDROCHLORIDE Chemical and Physical Properties
Names and Identifiers
-
- 4-[(4-METHYL-1-PIPERAZINYL)METHYL]-BENZENAMINE TRIHYDROCHLORIDE
- 4-((4-Methylpiperazin-1-yl)methyl)aniline trihydrochloride
- REF DUPL: 4-[(4-methyl-1-piperazinyl)methyl]-Benzenamine trihydrochloride
- AKOS027325838
- 4-[(4-methyl-(piperazin-1-yl))methyl]-aniline trihydrochloride
- 916739-34-9
-
- Inchi： 1S/C12H19N3.3ClH/c1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11;;;/h2-5H,6-10,13H2,1H3;3*1H
- InChI Key： RNMNELNNEBQQIM-UHFFFAOYSA-N
- SMILES： Cl.Cl.Cl.N1(CC2C=CC(=CC=2)N)CCN(C)CC1
Computed Properties
- Exact Mass: 313.08800
- Monoisotopic Mass: 313.087931g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 179
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 32.5?2
Experimental Properties
- PSA: 32.50000
- LogP: 3.87920
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-BENZENAMINE TRIHYDROCHLORIDE Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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