Propylene diquat
Basic information
- CAS
121013-72-7- Standard SMILES
CC1CN2C=CC=CC2=C2C=CC=CN21- InChIKey
LZCOLZOYZSYYAG-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Overview
RN given in first source; RN given refers to propylene diquat cation radical
Names & identifiers
- Preferred name
- Propylene diquat
- IUPAC
- 8-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
- English name
- propylene diquat
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26366
Names & synonyms
Pdq dibromidePropylene diquatPdq-radical121013-72-71,1'-Propylene-2,2'-bipyridyl1,1'-Propylene-2,2'-bipyridiliumRefChem:176534Pdq(+)DTXSID609236408-methyl-7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene6-methyl-6,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazineDipyrido(1,2-a:2',1'-c)pyrazine, 6,7-dihydro-6-methyl-, radical ion (1+)
Database identifiers
- CAS
121013-72-7- PubChem CID
- 149128
- DTXSID
DTXSID60923640
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 424
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Compound notes
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