Cas no 313656-28-9 (Ethanol,2-(5-isoquinolinyloxy)-)
313656-28-9 structure
Product Name:Ethanol,2-(5-isoquinolinyloxy)-
CAS No:313656-28-9
MF:C11H11NO2
MW:189.210542917252
CID:301012
PubChem ID:22036241
Update Time:2025-04-19
Ethanol,2-(5-isoquinolinyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol,2-(5-isoquinolinyloxy)-
- 2-(5-Isoquinolinyloxy)ethanol
- 2-(isoquinolin-5-yloxy)ethanol
- 2-isoquinolin-5-yloxyethanol
- DRDPUEDOROQMQU-UHFFFAOYSA-N
- 313656-28-9
- SCHEMBL4328934
-
- Inchi： 1S/C11H11NO2/c13-6-7-14-11-3-1-2-9-8-12-5-4-10(9)11/h1-5,8,13H,6-7H2
- InChI Key： DRDPUEDOROQMQU-UHFFFAOYSA-N
- SMILES： O(CCO)C1=CC=CC2C=NC=CC1=2
Computed Properties
- Exact Mass: 189.07903
- Monoisotopic Mass: 189.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 1.4
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 42.35
Ethanol,2-(5-isoquinolinyloxy)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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