Cas no 858194-18-0 (Acetamide,N-7-isoquinolinyl-, hydrate (1:1))
858194-18-0 structure
Product Name:Acetamide,N-7-isoquinolinyl-, hydrate (1:1)
CAS No:858194-18-0
MF:C11H12N2O2
MW:204.225182533264
CID:717887
PubChem ID:76852042
Update Time:2025-04-19
Acetamide,N-7-isoquinolinyl-, hydrate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,N-7-isoquinolinyl-, hydrate (1:1)
- Isoquinoline, 7-acetamido-, hydrate (5CI)
- N-(7-Isoquinolinyl)acetamide hydrate
- 858194-18-0
- N-(isoquinolin-7-yl)acetamide hydrate
-
- Inchi： 1S/C11H10N2O.H2O/c1-8(14)13-11-3-2-9-4-5-12-7-10(9)6-11;/h2-7H,1H3,(H,13,14);1H2
- InChI Key： DUWNCCBSCAMZFN-UHFFFAOYSA-N
- SMILES： O=C(C)NC1C=CC2C=CN=CC=2C=1.O
Computed Properties
- Exact Mass: 204.09
- Monoisotopic Mass: 204.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 217
- 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: 43A^2
Acetamide,N-7-isoquinolinyl-, hydrate (1:1) Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
858194-18-0 (Acetamide,N-7-isoquinolinyl-, hydrate (1:1)) Related Products
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