Cas no 22123-18-8 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-methylethyl)-2-phenyl-)
22123-18-8 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-methylethyl)-2-phenyl-
CAS No:22123-18-8
MF:C13H16N2O
MW:216.278943061829
CID:1407996
Update Time:2024-08-16
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-methylethyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-methylethyl)-2-phenyl-
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- Inchi： 1S/C13H16N2O/c1-9(2)12-10(3)14-15(13(12)16)11-7-5-4-6-8-11/h4-9,12H,1-3H3
- InChI Key： POUBONAKBYIKQL-UHFFFAOYSA-N
- SMILES： N1=C(C)C(C(C)C)C(=O)N1C1=CC=CC=C1
Computed Properties
- Exact Mass: 216.12638
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Melting Point: 114-115 °C
- Boiling Point: 353.5±11.0 °C(Predicted)
- PSA: 32.67
- pka: 2.69±0.70(Predicted)
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-methylethyl)-2-phenyl- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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