Cas no 31181-23-4 (1-methyl-7-Isoquinolinol)
1-methyl-7-Isoquinolinol structure
Product Name:1-methyl-7-Isoquinolinol
CAS No:31181-23-4
MF:C10H9NO
MW:159.184562444687
CID:916397
PubChem ID:15933748
Update Time:2025-04-19
1-methyl-7-Isoquinolinol Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-7-Isoquinolinol
- 7-Isoquinolinol,1-methyl-(8CI,9CI)
- SCHEMBL1563592
- 31181-23-4
- 7-Isoquinolinol, 1-methyl-
- 1-Methylisoquinolin-7-ol
- DB-284372
-
- Inchi： 1S/C10H9NO/c1-7-10-6-9(12)3-2-8(10)4-5-11-7/h2-6,12H,1H3
- InChI Key： UQXPQUHLPGOINA-UHFFFAOYSA-N
- SMILES： OC1C=CC2C=CN=C(C)C=2C=1
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
1-methyl-7-Isoquinolinol Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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