Cas no 79445-14-0 (5-tridecylpyrazole-3-carboxylic acid)
79445-14-0 structure
Product Name:5-tridecylpyrazole-3-carboxylic acid
CAS No:79445-14-0
MF:C17H30N2O2
MW:294.432304859161
CID:984696
PubChem ID:133207
Update Time:2025-04-20
5-tridecylpyrazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-tridecylpyrazole-3-carboxylic acid
- 1H-pyrazole-3-carboxylic acid, 5-tridecyl-
- 5-Tridecyl-1H-pyrazole-3-carboxylic acid
- 79445-14-0
- Pyrazole-3-carboxylic acid, 5-tridecyl-
- SCHEMBL11403580
- MLM-60
- MLM 60
- DTXSID00229658
- 5-n-Tridecylpyrazole-3-carboxylic acid
- 5-TDPC
-
- Inchi： 1S/C17H30N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-14-16(17(20)21)19-18-15/h14H,2-13H2,1H3,(H,18,19)(H,20,21)
- InChI Key： NHYZZXXJWKXULT-UHFFFAOYSA-N
- SMILES： OC(C1C=C(CCCCCCCCCCCCC)NN=1)=O
Computed Properties
- Exact Mass: 294.230728
- Monoisotopic Mass: 294.230728
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 272
- 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: 66
- XLogP3: 6.7
Experimental Properties
- Density: 1.022
- Boiling Point: 473.3°C at 760 mmHg
- Flash Point: 240°C
- Refractive Index: 1.51
5-tridecylpyrazole-3-carboxylic acid Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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