Cas no 1164-04-1 (3,5-Dimethyl-1-hexadecylpyrazole)
1164-04-1 structure
Product Name:3,5-Dimethyl-1-hexadecylpyrazole
CAS No:1164-04-1
MF:C21H40N2
MW:320.55570602417
CID:2355245
Update Time:2024-11-26
3,5-Dimethyl-1-hexadecylpyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexadecyl-3,5-dimethyl-1H-pyrazole
- 1-hexadecyl-3,5-dimethylpyrazole
- 3,5-Dimethyl-1-hexadecylpyrazole
- CXLQVJKUUGHVAQ-UHFFFAOYSA-N
- Q63392557
- 1-hexadecyl-3,5-dimethyl-pyrazole
- 3,5-dimethyl-1-hexadecyl-pyrazole
- 1-Hexadecyl-3,5-dimethyl-1H-pyrazole #
-
- Inchi： 1S/C21H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-21(3)19-20(2)22-23/h19H,4-18H2,1-3H3
- InChI Key： CXLQVJKUUGHVAQ-UHFFFAOYSA-N
- SMILES： N1(C(C)=CC(C)=N1)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 320.319
- Monoisotopic Mass: 320.319
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 15
- 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
- Topological Polar Surface Area: 17.8
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 8.7
3,5-Dimethyl-1-hexadecylpyrazole Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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