Cas no 97259-72-8 (3H-Pyrazol-3-one,4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-)
97259-72-8 structure
Product Name:3H-Pyrazol-3-one,4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-
CAS No:97259-72-8
MF:C22H34N2O
MW:342.518166065216
CID:808556
PubChem ID:3024799
Update Time:2025-04-19
3H-Pyrazol-3-one,4-dodecyl-2,4-dihydro-5-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one,4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-
- 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
- 4-dodecyl-5-methyl-2-phenyl-4H-pyrazol-3-one
- NS00065439
- DTXSID60914038
- 97259-72-8
- 4-Dodecyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- EINECS 306-435-5
- 4-Dodecyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
-
- Inchi： 1S/C22H34N2O/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)23-24(22(21)25)20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18H2,1-2H3
- InChI Key： YVLZXJFEADROFR-UHFFFAOYSA-N
- SMILES： O=C1C(C(C)=NN1C1C=CC=CC=1)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 342.267
- Monoisotopic Mass: 342.267
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 12
- Complexity: 412
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 7.6
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- Density: 1
- Boiling Point: 476.6°Cat760mmHg
- Flash Point: 242°C
- Refractive Index: 1.536
3H-Pyrazol-3-one,4-dodecyl-2,4-dihydro-5-methyl-2-phenyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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