Cas no 2762-42-7 (Propanoic acid,2-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-, ethyl ester)
2762-42-7 structure
Product Name:Propanoic acid,2-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-, ethyl ester
CAS No:2762-42-7
MF:C8H11N3O3
MW:197.191241502762
CID:279261
PubChem ID:135440971
Update Time:2025-04-19
Propanoic acid,2-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-, ethyl ester
- ethyl 2-(2-amino-4-oxo-1H-imidazol-5-ylidene)propanoate
- 2-(2-Amino-5-oxo-1,5-dihydro-imidazol-4-yliden)-propionsaeure-aethylester
- 2-(2-amino-5-oxo-1,5-dihydro-imidazol-4-ylidene)-propionic acid ethyl ester
- 2-Imidazoline-D5,a-acetic acid, 2-amino-a-methyl-4-oxo-, ethyl ester (6CI,7CI)
- AC1L7F7M
- AG-E-88158
- CTK4F9984
- ETHYL (2Z)-2-(2-AMINO-5-OXO-3H-IMIDAZOL-4-YLIDENE)PROPANOATE
- DTXSID30309336
- 2762-42-7
-
- Inchi： 1S/C8H11N3O3/c1-3-14-7(13)4(2)5-6(12)11-8(9)10-5/h3H2,1-2H3,(H3,9,10,11,12)
- InChI Key： BNMUCMHPJGVSKA-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C)=C1C(NC(N)=N1)=O)=O
Computed Properties
- Exact Mass: 197.08013
- Monoisotopic Mass: 197.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 344
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -0.5
- Topological Polar Surface Area: 93.8?2
Experimental Properties
- Density: 1.42
- Boiling Point: 311.9°Cat760mmHg
- Flash Point: 142.4°C
- Refractive Index: 1.604
- PSA: 93.78
- LogP: -0.26730
Propanoic acid,2-(2-amino-1,5-dihydro-5-oxo-4H-imidazol-4-ylidene)-, ethyl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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