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347841-45-6 molecular structure
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1-methyl-4-[1-methyl(2H4)pyridin-1-ium-4-yl](2H4)pyridin-1-ium dichloride

ChemBase ID: 176232
Molecular Formular: C12H14Cl2N2
Molecular Mass: 257.15896
Monoisotopic Mass: 256.05340382
SMILES and InChIs

SMILES:
c1[n+](ccc(c1)c1cc[n+](cc1)C)C.[Cl-].[Cl-]
Canonical SMILES:
C[n+]1ccc(cc1)c1cc[n+](cc1)C.[Cl-].[Cl-]
InChI:
InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2
InChIKey:
FIKAKWIAUPDISJ-UHFFFAOYSA-L

Cite this record

CBID:176232 http://www.chembase.cn/molecule-176232.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-4-[1-methyl(2H4)pyridin-1-ium-4-yl](2H4)pyridin-1-ium dichloride
IUPAC Traditional name
1-methyl-4-[1-methyl(2H4)pyridin-1-ium-4-yl](2H4)pyridin-1-ium dichloride
Synonyms
1,1'-Dimethyl-4,4'-bipyridinium-d8 Dichloride
Methyl Viologen-d8 Dichloride
Methylviologen-d8 Chloride
N,N'-Dimethyl-4,4'-bipyridinium-d8 Dichloride
N,N'-Dimethyl-4,4'-dipyridylium Dichloride
OK 622
Paragreen A-d8
Paraquat-d8 Dichloride
CAS Number
347841-45-6
PubChem SID
164232142
PubChem CID
71751465

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P191902 external link Add to cart
PubChem 71751465 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 71751465 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -6.7016106  LogD (pH = 7.4) -6.7016106 
Log P -6.7016106  Molar Refractivity 59.1912 cm3
Polarizability 23.6537 Å3 Polar Surface Area 7.76 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - P191902 external link
Labelled Paraquat Dichloride, a commonly used heribicide. Paraquat Dichloride is a fast-acting and non-selective viologen derivative that kills green plant tissue on contact. Studies suggest that there might be a possible link between Paraquat Dichloride

REFERENCES

REFERENCES

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  • • Heylings, J.R. et al.: Toxicology, 241, 1 (2007)
  • • Wibawa, W. et al.: Int. J. Agric. Biol., 11, 145 (2007)
  • • Franco, R. et al.: Chem.-Biol. Inter., 188, 289 (2007)
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PATENTS

PATENTS

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INTERNET

INTERNET

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