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4,4'-Trimethylenedipyridine

CAT: 0931-TYD-03491-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03491-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17252-51-6
Target
Others
Related Pathways
Others
Bioactivity
4,4'-Trimethylenedipyridine is a pharmaceutical intermediate employed in the synthesis of various active compounds.
Smiles
N=1C=CC(=CC1)CCCC=2C=CN=CC2
Molecular Formula
C13H14N2
Molecular Weight
198.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Bis(4-pyridyl)propane

structure in first source

CAS Number17252-51-6
PubChem CID87019
IUPAC Name4-(3-pyridin-4-ylpropyl)pyridine
Molecular FormulaC13H14N2
Molecular Weight198.26
XLogP2.5
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity140
SMILES
C1=CN=CC=C1CCCC2=CC=NC=C2
InChI
InChI=1S/C13H14N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h4-11H,1-3H2
InChIKey
OGNCVVRIKNGJHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Bis(4-pyridyl)propane
CAS: 17252-51-6
CID: 87019
Formula: C13H14N2
MW: 198.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.26
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass198.115698455
Monoisotopic Mass198.115698455
Topological Polar Surface Area25.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19267785-014,4'-Trimethylenedipyridine
PC52154,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC64124,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011273-014,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-014,4,4,4-Silanetetrayltetrabenzaldehyde
OR1011275-014,4',4'',4'''-Methanetetrayltetraphenol
PC4810-014,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-014,4,4,4',4',4'-Hexafluorovaline, ethyl ester
HY-W099255-01Ethyl 4,4,4,4',4',4'-hexafluoro-DL-valinate
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