Cas no 223562-51-4 (Pyridine,3-(1-propyn-1-yl)-)
Pyridine,3-(1-propyn-1-yl)- structure
Product Name:Pyridine,3-(1-propyn-1-yl)-
CAS No:223562-51-4
MF:C8H7N
MW:117.147881746292
CID:244578
PubChem ID:11194321
Update Time:2025-04-19
Pyridine,3-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,3-(1-propyn-1-yl)-
- Pyridine, 3-(1-propynyl)- (9CI)
- 3-Allylbenzoate
- 3-Allyl-benzoesaeure
- 3-allylbenzoic acid
- m-Allyl-benzoesaeure
- SCHEMBL965118
- 223562-51-4
-
- Inchi： 1S/C8H7N/c1-2-4-8-5-3-6-9-7-8/h3,5-7H,1H3
- InChI Key： GNPRXXGKEWSOHB-UHFFFAOYSA-N
- SMILES： N1C=CC=C(C#CC)C=1
Computed Properties
- Exact Mass: 117.05800
- Monoisotopic Mass: 117.057849228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 137
- 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: 1.6
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- PSA: 12.89000
- LogP: 1.45300
Pyridine,3-(1-propyn-1-yl)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
223562-51-4 (Pyridine,3-(1-propyn-1-yl)-) Related Products
- 2510-23-8(3-Ethynylpyridine)
- 121697-66-3(3-Pyridinecarbonitrile,labeled with deuterium (9CI))
- 67227-90-1(3,5-Diethynylpyridine)
- 13238-38-5(3-(2-phenylethynyl)pyridine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
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