Cas no 22196-68-5 (2-Pyrrolidinone,4-(1-methylethyl)-4-phenyl-)
22196-68-5 structure
Product Name:2-Pyrrolidinone,4-(1-methylethyl)-4-phenyl-
CAS No:22196-68-5
MF:C13H17NO
MW:203.280183553696
CID:281723
PubChem ID:30997
Update Time:2025-04-19
2-Pyrrolidinone,4-(1-methylethyl)-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidinone,4-(1-methylethyl)-4-phenyl-
- 22196-68-5
- AKOS015451099
- 2-Pyrrolidinone, 4-(1-methylethyl)-4-phenyl-
- Z1SS2T9ZH4
- 4-Phenyl-4-isopropyl-2-pyrrolidone
- 4-(1-Methylethyl)-4-phenyl-2-pyrrolidinone
- UNII-Z1SS2T9ZH4
- 4-Phenyl-4-isopropyl-2-pyrrolidon
-
- Inchi： 1S/C13H17NO/c1-10(2)13(8-12(15)14-9-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,15)
- InChI Key： NQKMRJDJLHJQJI-UHFFFAOYSA-N
- SMILES： O=C1CC(C2C=CC=CC=2)(CN1)C(C)C
Computed Properties
- Exact Mass: 203.13111
- Monoisotopic Mass: 203.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 243
- 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
- Topological Polar Surface Area: 29.1A^2
- XLogP3: 2.3
Experimental Properties
- Density: 1.037
- Boiling Point: 367°Cat760mmHg
- Flash Point: 219.9°C
- Refractive Index: 1.525
- PSA: 29.1
2-Pyrrolidinone,4-(1-methylethyl)-4-phenyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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