Cas no 116876-96-1 (Piperazinium,1-amino-1-methyl-4-phenyl-, iodide (1:1))
116876-96-1 structure
Product Name:Piperazinium,1-amino-1-methyl-4-phenyl-, iodide (1:1)
CAS No:116876-96-1
MF:C11H18IN3
MW:319.18519449234
CID:189097
PubChem ID:3088060
Update Time:2025-04-19
Piperazinium,1-amino-1-methyl-4-phenyl-, iodide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Piperazinium,1-amino-1-methyl-4-phenyl-, iodide (1:1)
- 1-methyl-4-phenylpiperazin-1-ium-1-amine,iodide
- Piperazinium, 1-amino-1-methyl-4-phenyl-, iodide
- 1-Amino-1-methyl-4-phenylpiperazinium iodide
- 1-AMINO-1-METHYL-4-PHENYLPIPERAZIN-1-IUM IODIDE
- DTXSID30922201
- 116876-96-1
-
- Inchi： 1S/C11H18N3.HI/c1-14(12)9-7-13(8-10-14)11-5-3-2-4-6-11;/h2-6H,7-10,12H2,1H3;1H/q+1;/p-1
- InChI Key： MLOMJAFXBCFPPU-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(C)(CCN(C2C=CC=CC=2)CC1)N
Computed Properties
- Exact Mass: 300.9133
- Monoisotopic Mass: 319.05455g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 179
- 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: 29.3?2
Experimental Properties
- PSA: 25.54
Piperazinium,1-amino-1-methyl-4-phenyl-, iodide (1:1) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
116876-96-1 (Piperazinium,1-amino-1-methyl-4-phenyl-, iodide (1:1)) Related Products
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