Cas no 101710-63-8 (1,4-Benzenedimethanaminium,N,N'-bis(2,3-dihydroxypropyl)-N,N,N',N'-tetramethyl-, dibromide (9CI))
101710-63-8 structure
Product Name:1,4-Benzenedimethanaminium,N,N'-bis(2,3-dihydroxypropyl)-N,N,N',N'-tetramethyl-, dibromide (9CI)
CAS No:101710-63-8
MF:C18H34Br2N2O4
MW:502.281564235687
CID:216728
PubChem ID:3063860
Update Time:2025-04-19
1,4-Benzenedimethanaminium,N,N'-bis(2,3-dihydroxypropyl)-N,N,N',N'-tetramethyl-, dibromide (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,4-Benzenedimethanaminium,N,N'-bis(2,3-dihydroxypropyl)-N,N,N',N'-tetramethyl-, dibromide (9CI)
- (p-Phenylenedimethylene)bis[(2,3-dihydroxypropyl)dimethylammoniumbromide] (6CI)
- 2,3-dihydroxypropyl-[[4-[[2,3-dihydroxypropyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium,dibromide
- (p-Phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethylammonium bromide)
- DTXSID70906525
- N,N'-[1,4-Phenylenebis(methylene)]bis(2,3-dihydroxy-N,N-dimethylpropan-1-aminium) dibromide
- Ammonium, (p-phenylenedimethylene)bis((2,3-dihydroxypropyl)dimethyl-, dibromide
- 101710-63-8
-
- Inchi： 1S/C18H34N2O4.2BrH/c1-19(2,11-17(23)13-21)9-15-5-7-16(8-6-15)10-20(3,4)12-18(24)14-22;;/h5-8,17-18,21-24H,9-14H2,1-4H3;2*1H/q+2;;/p-2
- InChI Key： BUHUTLRCSXLELJ-UHFFFAOYSA-L
- SMILES： [Br-].[Br-].OC(CO)C[N+](C)(C)CC1C=CC(=CC=1)C[N+](C)(C)CC(CO)O
Computed Properties
- Exact Mass: 465.8224
- Monoisotopic Mass: 500.08853g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- Rotatable Bond Count: 10
- Complexity: 321
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 80.9?2
Experimental Properties
- PSA: 79.6
1,4-Benzenedimethanaminium,N,N'-bis(2,3-dihydroxypropyl)-N,N,N',N'-tetramethyl-, dibromide (9CI) Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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