Cas no 1404530-92-2 (1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone)
![1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone structure](https://ossimg.kuujia.com/scimg/1405000/1404530-92-2x500.png)
1404530-92-2 structure
Product Name:1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone
CAS No:1404530-92-2
MF:C12H13N3O
MW:215.251122236252
CID:2111624
Update Time:2023-11-19
1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]Ethanone
- HBWWZIOMUUGPCH-UHFFFAOYSA-N
- CID 89103754
- Ethanone, 1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]-
- 1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone
-
- Inchi： 1S/C12H13N3O/c1-8-12(9(2)16)7-14-15(8)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3
- InChI Key： HBWWZIOMUUGPCH-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=NN(C2C=CC(=CC=2)N)C=1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 261
- Topological Polar Surface Area: 60.9
Experimental Properties
- Density: 1.21±0.1 g/cm3(Predicted)
- Boiling Point: 392.9±32.0 °C(Predicted)
- pka: 3.08±0.10(Predicted)
1-[1-(4-aminophenyl)-5-methyl-1H-pyrazol-4-yl]ethanone Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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