Cas no 174180-85-9 (1H-Pyrazole-5-methanol, 3-methyl-1-(phenylmethyl)-)
174180-85-9 structure
Product Name:1H-Pyrazole-5-methanol, 3-methyl-1-(phenylmethyl)-
CAS No:174180-85-9
MF:C12H14N2O
MW:202.252362728119
CID:1359129
Update Time:2024-08-17
1H-Pyrazole-5-methanol, 3-methyl-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-5-methanol, 3-methyl-1-(phenylmethyl)-
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- Inchi： 1S/C12H14N2O/c1-10-7-12(9-15)14(13-10)8-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
- InChI Key： KPARCOTXXIOMMB-UHFFFAOYSA-N
- SMILES： N1(CC2=CC=CC=C2)C(CO)=CC(C)=N1
Computed Properties
- Exact Mass: 202.11072
Experimental Properties
- Density: 1.11±0.1 g/cm3(Predicted)
- Boiling Point: 383.6±30.0 °C(Predicted)
- PSA: 38.05
- pka: 14.45±0.10(Predicted)
1H-Pyrazole-5-methanol, 3-methyl-1-(phenylmethyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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