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2895-98-9

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Basic Information
CAS No.: 2895-98-9
Name: 7,8-DIHYDRO-6H-DIPYRIDO[1,2-A:2',1'-C][1,4]DIAZEPINEDIIUM DIBROMIDE
Article Data: 7
Molecular Structure:
Molecular Structure of 2895-98-9 (7,8-DIHYDRO-6H-DIPYRIDO[1,2-A:2',1'-C][1,4]DIAZEPINEDIIUM DIBROMIDE)
Formula: C13H14Br2N2
Molecular Weight: 358.076
Synonyms: 6H-Dipyrido[1,2-a:2',1'-c][1,4]diazepinediium,7,8-dihydro-, dibromide (8CI,9CI);7,8-Dihydro-6H-dipyrido[1,2-a:2',1'-c]-[1,4]diazepinium dibromide (6CI);7,8-Dihydro-6H-dipyrido[1,2-a:2',1'-c][1,4]diazepinediium dibromide (7CI);1,1'-Propylene-2,2'-bipyridinium dibromide;1,1'-Trimethylene-2,2'-bipyridinium dibromide;1,1'-Trimethylene-2,2'-dipyridylium dibromide;7,8-Dihydro-6H-dipyrido[1,2-a:2,1-c][1,4]diazepinium dibromide;P3-Triquat;Triquat;
PSA: 7.76000
LogP: -4.65970
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Specification

The CAS register number of 6H-Dipyrido[1,2-a:2',1'-c][1,4]diazepinediium,7,8-dihydro-, bromide (1:2) is 2895-98-9. It also can be called as 1,1'-Propylene-2,2'-bipyridyliumdibromide and the systematic name about this chemical is 7,8-dihydro-6H-dipyrido[1,2-a:2',1'-c][1,4]diazepinediium dibromide. The molecular formula about this chemical is C13H14Br2N2 and the molecular weight is 358.07.

Physical properties about 6H-Dipyrido[1,2-a:2',1'-c][1,4]diazepinediium,7,8-dihydro-, bromide (1:2) are: (1)ACD/LogP: -4.68; (2)ACD/LogD (pH 5.5): -4.68; (3)ACD/LogD (pH 7.4): -4.68; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)Polar Surface Area: 7.76 Å2; (10)Heavy Atom Count: 16; (11)Formal Charge: 1; (12)Complexity: 195; (13)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Br-].[Br-].c3ccc2c1[n+](cccc1)CCC[n+]2c3
(2)InChI: InChI=1/C13H14N2.2BrH/c1-3-8-14-10-5-11-15-9-4-2-7-13(15)12(14)6-1;;/h1-4,6-9H,5,10-11H2;2*1H/q+2;;/p-2
(3)InChIKey: BMFRJCKQKSXVET-NUQVWONBAW
(4)Std. InChI: InChI=1S/C13H14N2.2BrH/c1-3-8-14-10-5-11-15-9-4-2-7-13(15)12(14)6-1;;/h1-4,6-9H,5,10-11H2;2*1H/q+2;;/p-2
(5)Std. InChIKey: BMFRJCKQKSXVET-UHFFFAOYSA-L