Basic information
- CAS
5069-24-9- Standard SMILES
C(C#Cc1cccnc1)#Cc1cccnc1- InChIKey
OXLKEFMFRSZXGO-UHFFFAOYSA-N- Molecular formula
- C14H8N2
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.06874826
Names & identifiers
- Preferred name
- 1,4-Di(pyridin-3-yl)buta-1,3-diyne
- IUPAC
- 3-(4-pyridin-3-ylbuta-1,3-diynyl)pyridine
- English name
- 1,4-di(pyridin-3-yl)buta-1,3-diyne
- Molecular formula
- C14H8N2
- Molecular weight
- 204.23
Names & synonyms
1,4-Di(pyridin-3-yl)buta-1,3-diyne5069-24-93-[4-(pyridin-3-yl)buta-1,3-diyn-1-yl]pyridine3,3'-buta-1,3-diyne-1,4-diyldipyridineorb3215563DTXSID601267186AKOS0243610273-(4-(3-pyridyl)buta-1,3-diynyl)pyridineCS-0170450ST509911363,3'-(Buta-1,3-diyne-1,4-diyl)dipyridinepyridine, 3,3'-(1,3-butadiyne-1,4-diyl)bis-
Show more names
3,3a(2)-(1,3-Butadiyne-1,4-diyl)bis[pyridine]InChI=1/C14H8N2/c1(5-13-7-3-9-15-11-13)2-6-14-8-4-10-16-12-14/h3-4,7-12
Database identifiers
- CAS
5069-24-9- PubChem CID
- 642803
- DTXSID
DTXSID601267186- Nikkaji
- J821.988E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 205 °C · 205 °C
- Boiling point
- 385.9 · 385.9±30.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 3.32 · 3.32±0.12(Predicted)
Chemistry & industry
Suppliers7 total
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
吉林中科研伸科技有限公司0431-80534350 15044023330 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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