Cas no 63768-19-4 (Isoquinoline, 6,7-dimethoxy-, hydrochloride)
63768-19-4 structure
Product Name:Isoquinoline, 6,7-dimethoxy-, hydrochloride
CAS No:63768-19-4
MF:C11H12ClNO2
MW:225.671482086182
CID:425784
PubChem ID:21286864
Update Time:2025-04-19
Isoquinoline, 6,7-dimethoxy-, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 6,7-dimethoxy-, hydrochloride
- Isoquinoline, 6,7-dimethoxy-, hydrochloride (1:1)
- BYJOKRGUWGQYKA-UHFFFAOYSA-N
- 9JF54B8PH5
- 6,7-dimethoxyisoquinoline hydrochloride
- SCHEMBL9623496
- UNII-9JF54B8PH5
- 63768-19-4
-
- Inchi： 1S/C11H11NO2.ClH/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2;/h3-7H,1-2H3;1H
- InChI Key： BYJOKRGUWGQYKA-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1C(=CC2C=NC=CC=2C=1)OC
Computed Properties
- Exact Mass: 225.05576
- Monoisotopic Mass: 225.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 186
- 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: 31.4A^2
Experimental Properties
- PSA: 31.35
Isoquinoline, 6,7-dimethoxy-, hydrochloride Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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