Cas no 71999-22-9 (Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-)
71999-22-9 structure
Product Name:Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-
CAS No:71999-22-9
MF:C19H16N2O
MW:288.343144416809
CID:544720
PubChem ID:2828443
Update Time:2025-04-19
Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)-
- 1-[1-(1H-indol-3-yl)-1H-isoquinolin-2-yl]ethanone
- Oprea1_702828
- SR-01000196096
- SR-01000196096-1
- AKOS030488309
- DTXSID10385198
- 1-(1-(1H-Indol-3-yl)isoquinolin-2(1H)-yl)ethanone
- HMS1577M10
- CBDivE_002353
- 71999-22-9
-
- Inchi: 1S/C19H16N2O/c1-13(22)21-11-10-14-6-2-3-7-15(14)19(21)17-12-20-18-9-5-4-8-16(17)18/h2-12,19-20H,1H3
- InChI Key: YCHXQUZTRTXQKL-UHFFFAOYSA-N
- SMILES: O=C(C)N1C=CC2C=CC=CC=2C1C1=CNC2C=CC=CC1=2
Computed Properties
- Exact Mass: 288.12638
- Monoisotopic Mass: 288.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 460
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 36.1?2
Experimental Properties
- PSA: 36.1
Isoquinoline, 2-acetyl-1,2-dihydro-1-(1H-indol-3-yl)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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