Cas no 648431-98-5 (Pyridine, 3-(1,3-butadiynyl)-)
Pyridine, 3-(1,3-butadiynyl)- structure
Product Name:Pyridine, 3-(1,3-butadiynyl)-
CAS No:648431-98-5
MF:C9H5N
MW:127.142701864243
CID:414667
PubChem ID:45079098
Update Time:2025-04-19
Pyridine, 3-(1,3-butadiynyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 3-(1,3-butadiynyl)-
- 3-buta-1,3-diynylpyridine
- Pyridine, 3-(1,3-butadiynyl)- (9CI)
- DTXSID80663652
- 3-(Buta-1,3-diyn-1-yl)pyridine
- 648431-98-5
-
- Inchi： 1S/C9H5N/c1-2-3-5-9-6-4-7-10-8-9/h1,4,6-8H
- InChI Key： MQDIEZLSNHQGRV-UHFFFAOYSA-N
- SMILES： N1C=CC=C(C#CC#C)C=1
Computed Properties
- Exact Mass: 127.042199164g/mol
- Monoisotopic Mass: 127.042199164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 207
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 12.9?2
Pyridine, 3-(1,3-butadiynyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
648431-98-5 (Pyridine, 3-(1,3-butadiynyl)-) Related Products
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