Cas no 61369-44-6 (Carbamic acid, (1,5,6,7-tetrahydro-1-methyl-2-quinoxalinyl)-, ethyl ester)
61369-44-6 structure
Product Name:Carbamic acid, (1,5,6,7-tetrahydro-1-methyl-2-quinoxalinyl)-, ethyl ester
CAS No:61369-44-6
MF:C12H17N3O2
MW:235.282282590866
CID:481909
PubChem ID:71396419
Update Time:2025-04-19
Carbamic acid, (1,5,6,7-tetrahydro-1-methyl-2-quinoxalinyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid, (1,5,6,7-tetrahydro-1-methyl-2-quinoxalinyl)-, ethyl ester
- ethyl N-(1-methyl-6,7-dihydro-5H-quinoxalin-2-yl)carbamate
- DTXSID50817988
- 61369-44-6
- Ethyl (1-methyl-1,5,6,7-tetrahydroquinoxalin-2-yl)carbamate
-
- Inchi： 1S/C12H17N3O2/c1-3-17-12(16)14-11-8-13-9-6-4-5-7-10(9)15(11)2/h7-8H,3-6H2,1-2H3,(H,14,16)
- InChI Key： WRZAFJUHPDBIGU-UHFFFAOYSA-N
- SMILES： O(CC)C(NC1=CN=C2C(=CCCC2)N1C)=O
Computed Properties
- Exact Mass: 235.13221
- Monoisotopic Mass: 235.132076794g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 410
- 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: 1.2
- Topological Polar Surface Area: 53.9?2
Experimental Properties
- PSA: 53.93
Carbamic acid, (1,5,6,7-tetrahydro-1-methyl-2-quinoxalinyl)-, ethyl ester Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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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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