Cas no 57422-02-3 (Isoquinoline, 5-(4-methoxyphenoxy)-, hydrochloride (1:1))
57422-02-3 structure
Product Name:Isoquinoline, 5-(4-methoxyphenoxy)-, hydrochloride (1:1)
CAS No:57422-02-3
MF:C16H14ClNO2
MW:287.740863323212
CID:386024
PubChem ID:24195346
Update Time:2025-04-19
Isoquinoline, 5-(4-methoxyphenoxy)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 5-(4-methoxyphenoxy)-, hydrochloride (1:1)
- 5-(4-methoxyphenoxy)isoquinoline,hydrochloride
- CTK1H4828
- NSC180257
- NSC-180257
- DTXSID80638628
- 57422-02-3
- 5-(4-Methoxyphenoxy)isoquinoline--hydrogen chloride (1/1)
-
- Inchi： 1S/C16H13NO2.ClH/c1-18-13-5-7-14(8-6-13)19-16-4-2-3-12-11-17-10-9-15(12)16;/h2-11H,1H3;1H
- InChI Key： BUSCTBCDVMXPKU-UHFFFAOYSA-N
- SMILES： Cl.O(C1C=CC(=CC=1)OC)C1=CC=CC2C=NC=CC=21
Computed Properties
- Exact Mass: 251.09469
- Monoisotopic Mass: 287.0713064g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 276
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 31.4?2
Experimental Properties
- PSA: 31.35
- LogP: 4.83770
Isoquinoline, 5-(4-methoxyphenoxy)-, hydrochloride (1:1) Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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