Cas no 113501-95-4 (3-methyl-1-octadecylpyrazole)
3-methyl-1-octadecylpyrazole structure
Product Name:3-methyl-1-octadecylpyrazole
CAS No:113501-95-4
MF:C22H42N2
MW:334.58228635788
CID:2610963
PubChem ID:71337387
Update Time:2025-04-21
3-methyl-1-octadecylpyrazole Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-1-octadecylpyrazole
- DTXSID30765110
- 3-Methyl-1-octadecyl-1H-pyrazole
- 113501-95-4
-
- Inchi： 1S/C22H42N2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22(2)23-24/h19,21H,3-18,20H2,1-2H3
- InChI Key： GPBUKQLFBUJUSR-UHFFFAOYSA-N
- SMILES： N1(C=CC(C)=N1)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 334.334799348Da
- Monoisotopic Mass: 334.334799348Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 17
- Complexity: 254
- 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: 9.4
- Topological Polar Surface Area: 17.8?2
3-methyl-1-octadecylpyrazole Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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