Cas no 55405-20-4 ((2,3,5,6-tetrachlorobenzene-1,4-diyl)bis(N,N-dimethylmethanamine) dihydrochloride)
55405-20-4 structure
Product Name:(2,3,5,6-tetrachlorobenzene-1,4-diyl)bis(N,N-dimethylmethanamine) dihydrochloride
CAS No:55405-20-4
MF:C12H18Cl6N2
MW:403.002717494965
CID:1593599
PubChem ID:3043320
Update Time:2025-04-21
(2,3,5,6-tetrachlorobenzene-1,4-diyl)bis(N,N-dimethylmethanamine) dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- (2,3,5,6-tetrachlorobenzene-1,4-diyl)bis(N,N-dimethylmethanamine) dihydrochloride
- N,N-dimethyl-1-[2,3,5,6-tetrachloro-4-[(dimethylamino)methyl]phenyl]methanamine,dihydrochloride
- DTXSID70203960
- 55405-20-4
- 2,3,5,6-Tetrachloro-N,N,N',N'-tetramethyl-1,4-benzenedimethanamine dihydrochloride
- 1,4-Bis(dimethylaminomethyl)-2,3,5,6-tetrachlorobenzene dihydrochloride
- 1,4-Benzenedimethanamine, 2,3,5,6-tetrachloro-N,N,N',N'-tetramethyl-, dihydrochloride
-
- Inchi： 1S/C12H16Cl4N2.2ClH/c1-17(2)5-7-9(13)11(15)8(6-18(3)4)12(16)10(7)14;;/h5-6H2,1-4H3;2*1H
- InChI Key： ZFUUSYMERCWLDO-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=C(C=1CN(C)C)Cl)Cl)CN(C)C)Cl.Cl.Cl
Computed Properties
- Exact Mass: 399.96054
- Monoisotopic Mass: 399.960115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 221
- 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: 6.5
Experimental Properties
- Boiling Point: 335.5°C at 760 mmHg
- Flash Point: 156.7°C
- PSA: 6.48
(2,3,5,6-tetrachlorobenzene-1,4-diyl)bis(N,N-dimethylmethanamine) dihydrochloride Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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