Cas no 856064-16-9 (1H-Pyrazole,1,4-diethyl-3,5-dimethyl-)
856064-16-9 structure
Product Name:1H-Pyrazole,1,4-diethyl-3,5-dimethyl-
CAS No:856064-16-9
MF:C9H16N2
MW:152.236742019653
CID:717491
Update Time:2024-01-31
1H-Pyrazole,1,4-diethyl-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,1,4-diethyl-3,5-dimethyl-
- 1H-Pyrazole, 1,4-diethyl-3,5-dimethyl-
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- Inchi： 1S/C9H16N2/c1-5-9-7(3)10-11(6-2)8(9)4/h5-6H2,1-4H3
- InChI Key： TVBAQWVAMLCRIX-UHFFFAOYSA-N
- SMILES： N1(CC)C(C)=C(CC)C(C)=N1
Computed Properties
- Exact Mass: 152.131
- Monoisotopic Mass: 152.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 17.8A^2
Experimental Properties
- Density: 0.94±0.1 g/cm3(Predicted)
- Boiling Point: 224.4±9.0 °C(Predicted)
- pka: 3.81±0.10(Predicted)
1H-Pyrazole,1,4-diethyl-3,5-dimethyl- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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