Cas no 74862-27-4 (1H-Indole-3-carboximidic acid methyl ester)
74862-27-4 structure
Product Name:1H-Indole-3-carboximidic acid methyl ester
CAS No:74862-27-4
MF:C10H10N2O
MW:174.199202060699
CID:2103988
Update Time:2023-11-18
1H-Indole-3-carboximidic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-carboximidic acid methyl ester
- 1H-Indole-3-carboximidic acid, methyl ester
- FCH1247874
- 1H-indole-3-carboximidic acid, methyl ester, hydrochloride
- CID 135802643
-
- Inchi: 1S/C10H10N2O/c1-13-10(11)8-6-12-9-5-3-2-4-7(8)9/h2-6,11-12H,1H3
- InChI Key: DJYCPSULZRWRJK-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CNC2C=CC=CC=21)=N
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 205
- XLogP3: 2.7
- Topological Polar Surface Area: 48.9
Experimental Properties
- Density: 1.21±0.1 g/cm3(Predicted)
- Melting Point: 159-195 °C
- Boiling Point: 312.1±34.0 °C(Predicted)
- pka: 15.62±0.30(Predicted)
1H-Indole-3-carboximidic acid methyl ester Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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