Cas no 148651-48-3 (Benzene,1-(1-methylethyl)-4-(1-propyn-1-yl)-)
148651-48-3 structure
Product Name:Benzene,1-(1-methylethyl)-4-(1-propyn-1-yl)-
CAS No:148651-48-3
MF:C12H14
MW:158.239563465118
CID:100435
PubChem ID:45096061
Update Time:2025-04-18
Benzene,1-(1-methylethyl)-4-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(1-methylethyl)-4-(1-propyn-1-yl)-
- 1-propan-2-yl-4-prop-1-ynylbenzene
- Benzene, 1-(1-methylethyl)-4-(1-propynyl)- (9CI)
- 148651-48-3
- 1-(Propan-2-yl)-4-(prop-1-yn-1-yl)benzene
- DTXSID10667446
-
- Inchi： 1S/C12H14/c1-4-5-11-6-8-12(9-7-11)10(2)3/h6-10H,1-3H3
- InChI Key： HKNWPSXJVOLJHW-UHFFFAOYSA-N
- SMILES： C(C)(C)C1C=CC(C#CC)=CC=1
Computed Properties
- Exact Mass: 158.10962
- Monoisotopic Mass: 158.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 181
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.8
Experimental Properties
- PSA: 0
Benzene,1-(1-methylethyl)-4-(1-propyn-1-yl)- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
148651-48-3 (Benzene,1-(1-methylethyl)-4-(1-propyn-1-yl)-) Related Products
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