Cas no 54520-29-5 (2-Pyrrolidinone, 1-methyl-4-(4-methylphenyl)-)
54520-29-5 structure
Product Name:2-Pyrrolidinone, 1-methyl-4-(4-methylphenyl)-
CAS No:54520-29-5
MF:C12H15NO
MW:189.253603219986
CID:354387
PubChem ID:71364641
Update Time:2025-04-19
2-Pyrrolidinone, 1-methyl-4-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinone, 1-methyl-4-(4-methylphenyl)-
- 1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
- 54520-29-5
- SCHEMBL18590524
- DTXSID50788104
-
- Inchi： 1S/C12H15NO/c1-9-3-5-10(6-4-9)11-7-12(14)13(2)8-11/h3-6,11H,7-8H2,1-2H3
- InChI Key： ZPWHBRLPHWKPBP-UHFFFAOYSA-N
- SMILES： O=C1CC(C2C=CC(C)=CC=2)CN1C
Computed Properties
- Exact Mass: 189.11545
- Monoisotopic Mass: 189.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 218
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2-Pyrrolidinone, 1-methyl-4-(4-methylphenyl)- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Dongjia Han,Bing Xue,Juan Du,Tomohiro Miyatake,Hitoshi Tamiaki,Xin Xing,Wei Yuan,Yanyan Li Phys. Chem. Chem. Phys., 2016,18, 24252-24260
54520-29-5 (2-Pyrrolidinone, 1-methyl-4-(4-methylphenyl)-) Related Products
- 1198-97-6(4-phenylpyrrolidin-2-one)
- 1497-17-2(3-methyl-3-phenylpyrrolidine-2,5-dione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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