| CAS Number | 2029-58-5 |
| Catalog Number | AG01EUHT(AGN-PC-0O78X7) |
| Chemical Name | 1,4-Bis-(4-pyridyl)butane |
| IUPAC Name | 4-(4-pyridin-4-ylbutyl)pyridine |
| InChI | InChI=1S/C14H16N2/c1(3-13-5-9-15-10-6-13)2-4-14-7-11-16-12-8-14/h5-12H,1-4H2 |
| InChI Key | XEWYLBJSCXVMCJ-UHFFFAOYSA-N |
| MDL Number | MFCD06637435 |
| Molecular Formula | C14H16N2 |
| Molecular Weight | 212.2902 |
| SMILES | N1=CC=C(C=C1)CCCCC1=CC=NC=C1 |
| Synonyms | 1,4-bis(4-pyridyl)butane,
1,4-Bis-(4-pyridyl)butane,
2029-58-5,
SCHEMBL726645,
CTK5J0987,
4-[4-(4-pyridinyl)butyl]pyridine,
ZINC8701063,
4-(4-pyridin-4-yl-butyl)-pyridine,
SC-49689,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.296g/mol |
| Monoisotopic Mass | 212.131g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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