Cas no 823198-72-7 (Pyridine, 5-methyl-2-(phenylethynyl)-, hydrochloride)
823198-72-7 structure
Product Name:Pyridine, 5-methyl-2-(phenylethynyl)-, hydrochloride
CAS No:823198-72-7
MF:C14H12ClN
MW:229.704782485962
CID:694871
PubChem ID:68997157
Update Time:2025-04-19
Pyridine, 5-methyl-2-(phenylethynyl)-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Pyridine, 5-methyl-2-(phenylethynyl)-, hydrochloride
- 5-methyl-2-(2-phenylethynyl)pyridine,hydrochloride
- 823198-72-7
- 5-Methyl-2-(phenylethynyl)pyridine--hydrogen chloride (1/1)
- SCHEMBL4309309
- DTXSID80739503
-
- Inchi： 1S/C14H11N.ClH/c1-12-7-9-14(15-11-12)10-8-13-5-3-2-4-6-13;/h2-7,9,11H,1H3;1H
- InChI Key： FJCCAFCTEBFJPI-UHFFFAOYSA-N
- SMILES： Cl.N1C=C(C)C=CC=1C#CC1C=CC=CC=1
Computed Properties
- Exact Mass: 229.0658271g/mol
- Monoisotopic Mass: 229.0658271g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 251
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.9?2
Pyridine, 5-methyl-2-(phenylethynyl)-, hydrochloride Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
823198-72-7 (Pyridine, 5-methyl-2-(phenylethynyl)-, hydrochloride) Related Products
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