Cas no 501954-43-4 (Isoquinoline, 4-(4-morpholinyl)-)
501954-43-4 structure
Product Name:Isoquinoline, 4-(4-morpholinyl)-
CAS No:501954-43-4
MF:C13H14N2O
MW:214.263062953949
CID:1562286
PubChem ID:12033767
Update Time:2025-04-21
Isoquinoline, 4-(4-morpholinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoquinoline, 4-(4-morpholinyl)-
- 501954-43-4
- DTXSID101301686
- SCHEMBL5820339
-
- Inchi： 1S/C13H14N2O/c1-2-4-12-11(3-1)9-14-10-13(12)15-5-7-16-8-6-15/h1-4,9-10H,5-8H2
- InChI Key： BYZLEDOQYUJIRU-UHFFFAOYSA-N
- SMILES： O1CCN(C2C=NC=C3C=CC=CC=23)CC1
Computed Properties
- Exact Mass: 214.11072
- Monoisotopic Mass: 214.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 228
- 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: 1.9
- Topological Polar Surface Area: 25.4?2
Experimental Properties
- PSA: 25.36
Isoquinoline, 4-(4-morpholinyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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