Cas no 628332-24-1 (1H-Pyrazole, 3-(1-methylethyl)-1-(phenylmethyl)-)
628332-24-1 structure
Product Name:1H-Pyrazole, 3-(1-methylethyl)-1-(phenylmethyl)-
CAS No:628332-24-1
MF:C13H16N2
MW:200.279542922974
CID:1640692
Update Time:2024-09-12
1H-Pyrazole, 3-(1-methylethyl)-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole, 3-(1-methylethyl)-1-(phenylmethyl)-
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- Inchi： 1S/C13H16N2/c1-11(2)13-8-9-15(14-13)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
- InChI Key： FVXUXRPATLGIRB-UHFFFAOYSA-N
- SMILES： N1(CC2=CC=CC=C2)C=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 200.13148
Experimental Properties
- Density: 1.00±0.1 g/cm3(Predicted)
- Boiling Point: 321.3±21.0 °C(Predicted)
- PSA: 17.82
- pka: 2.35±0.10(Predicted)
1H-Pyrazole, 3-(1-methylethyl)-1-(phenylmethyl)- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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