Cas no 130964-60-2 (5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl-)
130964-60-2 structure
Product Name:5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl-
CAS No:130964-60-2
MF:C21H22ClN3O2S
MW:415.936282634735
CID:1227049
Update Time:2024-08-05
5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl- Chemical and Physical Properties
Names and Identifiers
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- 5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl-
- 5-Isoquinolinesulfonamide, N-[2-[[3-(4-chlorophenyl)-2-propen-1-yl]amino]ethyl]-N-methyl-
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- Inchi: 1S/C21H22ClN3O2S/c1-25(15-14-23-12-3-4-17-7-9-19(22)10-8-17)28(26,27)21-6-2-5-18-16-24-13-11-20(18)21/h2-11,13,16,23H,12,14-15H2,1H3
- InChI Key: GSTBJLDFUKPCPI-UHFFFAOYSA-N
- SMILES: C1C2=C(C(S(N(CCNCC=CC3=CC=C(Cl)C=C3)C)(=O)=O)=CC=C2)C=CN=1
Computed Properties
- Exact Mass: 415.11236
Experimental Properties
- Density: 1.293±0.06 g/cm3(Predicted)
- Boiling Point: 621.5±65.0 °C(Predicted)
- PSA: 62.3
- pka: 8.38±0.19(Predicted)
5-Isoquinolinesulfonamide,N-[2-[[3-(4-chlorophenyl)-2-propenyl]amino]ethyl]-N-methyl- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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