Cas no 20335-65-3 (5-Isoquinolinol,1-methyl-)
5-Isoquinolinol,1-methyl- structure
Product Name:5-Isoquinolinol,1-methyl-
CAS No:20335-65-3
MF:C10H9NO
MW:159.184562444687
CID:241054
PubChem ID:17830641
Update Time:2025-04-19
5-Isoquinolinol,1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isoquinolinol,1-methyl-
- 1-methylisoquinolin-5-ol
- 5-Hydroxy-1-methylisoquinoline
- A 102
- BKMZNTDCSUNCMV-UHFFFAOYSA-N
- 5-Isoquinolinol, 1-methyl-
- SCHEMBL1564280
- 20335-65-3
- CHEMBL133542
-
- Inchi： 1S/C10H9NO/c1-7-8-3-2-4-10(12)9(8)5-6-11-7/h2-6,12H,1H3
- InChI Key： BKMZNTDCSUNCMV-UHFFFAOYSA-N
- SMILES： OC1=CC=CC2C(C)=NC=CC=21
Computed Properties
- Exact Mass: 159.06847
- Monoisotopic Mass: 159.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- 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: 2.1
- Topological Polar Surface Area: 33.1?2
Experimental Properties
- PSA: 33.12
5-Isoquinolinol,1-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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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