Cas no 107430-37-5 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(2-methylpropyl)-2-phenyl-)
107430-37-5 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(2-methylpropyl)-2-phenyl-
CAS No:107430-37-5
MF:C14H18N2O
MW:230.305523395538
CID:1183520
Update Time:2024-08-02
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(2-methylpropyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
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- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(2-methylpropyl)-2-phenyl-
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- Inchi： 1S/C14H18N2O/c1-10(2)9-13-11(3)15-16(14(13)17)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3
- InChI Key： YOQLDYYUCQUBHZ-UHFFFAOYSA-N
- SMILES： N1=C(C)C(CC(C)C)C(=O)N1C1=CC=CC=C1
Computed Properties
- Exact Mass: 230.14204
Experimental Properties
- Density: 1.09±0.1 g/cm3(Predicted)
- Melting Point: 117-119 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling Point: 367.3±11.0 °C(Predicted)
- PSA: 32.67
- pka: 2.77±0.70(Predicted)
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(2-methylpropyl)-2-phenyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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5. 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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