Cas no 84356-27-4 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxooctadecyl)-2-phenyl-)
84356-27-4 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxooctadecyl)-2-phenyl-
CAS No:84356-27-4
MF:C28H44N2O2
MW:440.66116809845
CID:667306
PubChem ID:15920279
Update Time:2025-04-19
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxooctadecyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxooctadecyl)-2-phenyl-
- 3-Methyl-1-phenyl-4-stearoyl-5(4H)-pyrazolone
- 5-methyl-4-octadecanoyl-2-phenyl-4H-pyrazol-3-one
- 84356-27-4
- 1-phenyl-3-methyl-4-stearoyl-5-pyrazolone
- DTXSID00579625
- 3-Methyl-1-phenyl-4-stearoyl-1H-pyrazol-5(4H)-one
- 5-Methyl-4-octadecanoyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
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- Inchi： 1S/C28H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(31)27-24(2)29-30(28(27)32)25-21-18-17-19-22-25/h17-19,21-22,27H,3-16,20,23H2,1-2H3
- InChI Key： HEIJXJMIKNZPHN-UHFFFAOYSA-N
- SMILES： O=C(C1C(N(C2C=CC=CC=2)N=C1C)=O)CCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 440.34027865g/mol
- Monoisotopic Mass: 440.34027865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 18
- Complexity: 566
- 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: 9.6
- Topological Polar Surface Area: 49.7?2
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxooctadecyl)-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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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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