Cas no 14548-00-6 (Isoquinoline,3-methyl-, 2-oxide)
14548-00-6 structure
Product Name:Isoquinoline,3-methyl-, 2-oxide
CAS No:14548-00-6
MF:C10H9NO
MW:159.184562444687
CID:206421
PubChem ID:588457
Update Time:2025-04-19
Isoquinoline,3-methyl-, 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline,3-methyl-, 2-oxide
- 3-methyl-2-oxidoisoquinolin-2-ium
- 3-METHYLISOQUINOLINE 2-OXIDE
- 14548-00-6
- H3R86GGQ6H
- NSC-338441
- 3-Methylisoquinoline N-oxide
- Isoquinoline, 3-methyl-, 2-oxide
- 3-Methyisoquinoline oxide
- DTXSID20343244
- NSC338441
- SCHEMBL638086
- 3-methylisoquinolin-2-ium-2-olate
- AKOS006279635
- BTEXQKZNRLDUMG-UHFFFAOYSA-N
-
- Inchi： 1S/C10H9NO/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7H,1H3
- InChI Key： BTEXQKZNRLDUMG-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=C2C=CC=CC2=CC=1C
Computed Properties
- Exact Mass: 160.0763
- Monoisotopic Mass: 159.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 25.5?2
Experimental Properties
- PSA: 20.08
Isoquinoline,3-methyl-, 2-oxide Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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