Cas no 103318-91-8 (4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1,6-dimethyl-3-oxo-)
103318-91-8 structure
Product Name:4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1,6-dimethyl-3-oxo-
CAS No:103318-91-8
MF:C12H14N2O
MW:202.252362728119
CID:1136381
Update Time:2024-07-26
4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1,6-dimethyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
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- 4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1,6-dimethyl-3-oxo-
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- Inchi： 1S/C12H14N2O/c1-7-3-4-9-8(2)14-12(15)11(6-13)10(9)5-7/h7H,3-5H2,1-2H3,(H,14,15)
- InChI Key： KBMCXLQTDMTOFS-UHFFFAOYSA-N
- SMILES： C1(C)=C2C(CC(C)CC2)=C(C#N)C(=O)N1
Computed Properties
- Exact Mass: 202.11072
Experimental Properties
- Density: 1.15±0.1 g/cm3(Predicted)
- Melting Point: >290 °C
- Boiling Point: 453.4±28.0 °C(Predicted)
- PSA: 45.79
- pka: 10.53±0.70(Predicted)
4-Isoquinolinecarbonitrile, 2,3,5,6,7,8-hexahydro-1,6-dimethyl-3-oxo- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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