1,1'-(1,4-Tetramethylene)bis(2,5-dimethylpyrrole)
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Basic information
- CAS
6637-08-7- Standard SMILES
Cc1ccc(C)n1CCCCn1c(C)ccc1C- InChIKey
OFTHAYNMJIBXNA-UHFFFAOYSA-N- Molecular formula
- C16H24N2
- Average molar mass
- 244.37 g/mol
- Monoisotopic mass
- 244.19394877
Names & identifiers
- Preferred name
- 1,1'-(1,4-Tetramethylene)bis(2,5-dimethylpyrrole)
- IUPAC
- 1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-2,5-dimethylpyrrole
- English name
- 1,1'-(1,4-Tetramethylene)bis(2,5-dimethylpyrrole)
- Molecular formula
- C16H24N2
- Molecular weight
- 244.38
Names & synonyms
1,1'-(1,4-TETRAMETHYLENE)BIS(2,5-DIMETHYLPYRROLE)RefChem:409000651-306-16637-08-71,4-Bis(2,5-dimethyl-1H-pyrrol-1-yl)butane1-[4-(2,5-dimethylpyrrol-1-yl)butyl]-2,5-dimethylpyrroleNSC52359DTXSID30287746NSC-52359AKOS024322418DS-0030261H-pyrrole,1,1-(1,4-butanediyl)bis[2,5-dimethyl-
Show more names
1H-Pyrrole, 1,1'-(1,4-butanediyl)bis[2,5-dimethyl-
1,1'-(Butane-1,4-diyl)bis(2,5-dimethyl-1H-pyrrole)
Database identifiers
- CAS
6637-08-7- PubChem CID
- 243117
- DTXSID
DTXSID30287746- EC Number
- 651-306-1
- Nikkaji
- J2.857.642K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 9.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 388.5 · 388.5±30.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- -0.15 · -0.15±0.70(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H335-H301-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H315-H335-H301-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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Related reactions
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Compound notes
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