Cas no 565431-21-2 (Quinoline, 8-(di-1H-pyrrol-2-ylmethyl)-)
565431-21-2 structure
Product Name:Quinoline, 8-(di-1H-pyrrol-2-ylmethyl)-
CAS No:565431-21-2
MF:C18H15N3
MW:273.331803560257
CID:1599554
Update Time:2024-09-13
Quinoline, 8-(di-1H-pyrrol-2-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Quinoline, 8-(di-1H-pyrrol-2-ylmethyl)-
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- Inchi： 1S/C18H15N3/c1-5-13-6-2-12-21-18(13)14(7-1)17(15-8-3-10-19-15)16-9-4-11-20-16/h1-12,17,19-20H
- InChI Key： JVTWLOISOZMYNT-UHFFFAOYSA-N
- SMILES： N1C2C(=CC=CC=2C(C2=CC=CN2)C2=CC=CN2)C=CC=1
Computed Properties
- Exact Mass: 273.12675
Experimental Properties
- Density: 1.261±0.06 g/cm3(Predicted)
- Boiling Point: 516.5±45.0 °C(Predicted)
- PSA: 44.47
- pka: 16.67±0.50(Predicted)
Quinoline, 8-(di-1H-pyrrol-2-ylmethyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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