N,N'-Dimethyl-2,7-diazapyrenium difluoroborate - CAS 21178-14-3
Catalog: |
BB044249 |
Product Name: |
N,N'-Dimethyl-2,7-diazapyrenium difluoroborate |
CAS: |
21178-14-3 |
Synonyms: |
2,7-Dimethyl-benzo[lmn][3,8]phenanthrolinium bistetrafluoroborate |
IUPAC Name: | 6,13-dimethyl-6,13-diazoniatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene;ditetrafluoroborate |
Description: | N,N'-Dimethyl-2,7-diazapyrenium difluoroborate (CAS# 21178-14-3 ) is a useful research chemical. |
Molecular Weight: | 407.9 |
Molecular Formula: | C16H14B2F8N2 |
Canonical SMILES: | [B-](F)(F)(F)F.[B-](F)(F)(F)F.C[N+]1=CC2=C3C(=C1)C=CC4=C[N+](=CC(=C43)C=C2)C |
InChI: | InChI=1S/C16H14N2.2BF4/c1-17-7-11-3-5-13-9-18(2)10-14-6-4-12(8-17)15(11)16(13)14;2*2-1(3,4)5/h3-10H,1-2H3;;/q+2;2*-1 |
InChI Key: | BWDBFPFEKXUMDM-UHFFFAOYSA-N |
Complexity: | 288 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 408.1215341 |
Formal Charge: | 0 |
Heavy Atom Count: | 28 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 408.1215341 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 7.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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