Cas no 62614-93-1 (1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3,4-dimethyl-)
62614-93-1 structure
Product Name:1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3,4-dimethyl-
CAS No:62614-93-1
MF:C11H15NO
MW:177.242902994156
CID:438165
PubChem ID:12331500
Update Time:2025-04-19
1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3,4-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3,4-dimethyl-
- 3,4-dimethyl-5,6,7,8-tetrahydro-2H-isoquinolin-1-one
- 62614-93-1
- 3,4-Dimethyl-5,6,7,8-tetrahydroisoquinolin-1(2H)-one
- DTXSID70490616
-
- Inchi： 1S/C11H15NO/c1-7-8(2)12-11(13)10-6-4-3-5-9(7)10/h3-6H2,1-2H3,(H,12,13)
- InChI Key： DCZZGBMEXWXFHJ-UHFFFAOYSA-N
- SMILES： O=C1C2CCCCC=2C(C)=C(C)N1
Computed Properties
- Exact Mass: 177.11545
- Monoisotopic Mass: 177.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 323
- 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: 29.1?2
Experimental Properties
- PSA: 29.1
1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-3,4-dimethyl- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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