Cas no 61494-58-4 (3-Pyridineacetic acid, 2-(phenylamino)-)
61494-58-4 structure
Product Name:3-Pyridineacetic acid, 2-(phenylamino)-
CAS No:61494-58-4
MF:C13H12N2O2
MW:228.246582984924
CID:477314
Update Time:2024-01-30
3-Pyridineacetic acid, 2-(phenylamino)- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridineacetic acid, 2-(phenylamino)-
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- Inchi： 1S/C13H12N2O2/c16-12(17)9-10-5-4-8-14-13(10)15-11-6-2-1-3-7-11/h1-8H,9H2,(H,14,15)(H,16,17)
- InChI Key： WQGWXDKAVJQRQQ-UHFFFAOYSA-N
- SMILES： C1(NC2=CC=CC=C2)=NC=CC=C1CC(O)=O
Computed Properties
- Exact Mass: 228.08996
Experimental Properties
- Density: 1.295±0.06 g/cm3(Predicted)
- Boiling Point: 417.8±35.0 °C(Predicted)
- PSA: 62.22
- pka: 3.43±0.10(Predicted)
3-Pyridineacetic acid, 2-(phenylamino)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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