Cas no 1052565-75-9 (2-(2-Ethyl-butyl)-2h-pyrazol-3-ylamine)
1052565-75-9 structure
Product Name:2-(2-Ethyl-butyl)-2h-pyrazol-3-ylamine
CAS No:1052565-75-9
MF:C9H17N3
MW:167.251381635666
CID:2150737
Update Time:2023-08-05
2-(2-Ethyl-butyl)-2h-pyrazol-3-ylamine Chemical and Physical Properties
Names and Identifiers
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- 2-(2-ethyl-butyl)-2H-pyrazol-3-ylamine
- 1-(2-ETHYLBUTYL)-1H-PYRAZOL-5-AMINE
- 2-(2-Ethyl-butyl)-2h-pyrazol-3-ylamine
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- Inchi： 1S/C9H17N3/c1-3-8(4-2)7-12-9(10)5-6-11-12/h5-6,8H,3-4,7,10H2,1-2H3
- InChI Key： FYZMNXQPYXLERT-UHFFFAOYSA-N
- SMILES： N1(C(=CC=N1)N)CC(CC)CC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 123
- Topological Polar Surface Area: 43.8
2-(2-Ethyl-butyl)-2h-pyrazol-3-ylamine Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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