InChI: | InChI=1/C14H18N2.2ClHO4/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2 |
Specification: |
The CAS register number of Ethyl viologen diperchlorate is 36305-51-8. It also can be called as 1,1'-diethyl-4,4'-bipyridine-1,1'-diium perchlorate and the IUPAC name about this chemical is 1-ethyl-4-(1-ethylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate. The molecular formula about this chemical is C14H18Cl2N2O8 and the molecular weight is 413.21.
Physical properties about Ethyl viologen diperchlorate are: (1)#H bond acceptors: 10; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 156.3Å2; (5)H-Bond Acceptor: 8; (6)Rotatable Bond Count: 3; (7)Exact Mass: 412.044021; (8)MonoIsotopic Mass: 412.044021; (9)Topological Polar Surface Area: 156; (10)Heavy Atom Count: 26; (11)Complexity: 263.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. When you are using it, wear suitable suitable protective clothing and eye/face protection, you need take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.CC[n+]1ccc(cc1)c2cc[n+](CC)cc2
(2)InChI: InChI=1/C14H18N2.2ClHO4/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2
(3)InChIKey: HTNDMKDAPWJPEX-NUQVWONBAU
(4)Std. InChI: InChI=1S/C14H18N2.2ClHO4/c1-3-15-9-5-13(6-10-15)14-7-11-16(4-2)12-8-14;2*2-1(3,4)5/h5-12H,3-4H2,1-2H3;2*(H,2,3,4,5)/q+2;;/p-2
(5)Std. InChIKey: HTNDMKDAPWJPEX-UHFFFAOYSA-L
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