Cas no 62214-48-6 (3,5-Pyrazolidinedione, 1,4,4-trimethyl-2-phenyl-)
62214-48-6 structure
Product Name:3,5-Pyrazolidinedione, 1,4,4-trimethyl-2-phenyl-
CAS No:62214-48-6
MF:C12H14N2O2
MW:218.251762866974
CID:454276
PubChem ID:71388755
Update Time:2025-04-19
3,5-Pyrazolidinedione, 1,4,4-trimethyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyrazolidinedione, 1,4,4-trimethyl-2-phenyl-
- 1,4,4-trimethyl-2-phenylpyrazolidine-3,5-dione
- 62214-48-6
- DTXSID80810806
-
- Inchi： 1S/C12H14N2O2/c1-12(2)10(15)13(3)14(11(12)16)9-7-5-4-6-8-9/h4-8H,1-3H3
- InChI Key： QDGRTIAYCVODMH-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(N(C)N1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 218.10562
- Monoisotopic Mass: 218.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 319
- 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: 1.8
- Topological Polar Surface Area: 40.6?2
Experimental Properties
- PSA: 40.62
3,5-Pyrazolidinedione, 1,4,4-trimethyl-2-phenyl- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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