Cas no 887579-53-5 (Butanimidic acid,4-hydroxy-, ethyl ester)
887579-53-5 structure
Product Name:Butanimidic acid,4-hydroxy-, ethyl ester
CAS No:887579-53-5
MF:C6H13NO2
MW:131.172921895981
CID:713228
PubChem ID:53404341
Update Time:2025-04-19
Butanimidic acid,4-hydroxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanimidic acid,4-hydroxy-, ethyl ester
- 4-hydroxy-butyrimidic acid ethyl ester
- ethyl 4-hydroxybutanimidate
- DTXSID90695368
- 4-Hydroxy-butyrimidicacidethylester
- AKOS006293374
- 887579-53-5
-
- MDL： MFCD06656707
- Inchi： 1S/C6H13NO2/c1-2-9-6(7)4-3-5-8/h7-8H,2-5H2,1H3
- InChI Key： UFKJWVXZPJUWHG-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCO)=N
Computed Properties
- Exact Mass: 131.095
- Monoisotopic Mass: 131.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 83.1
- 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: 0.2
- Topological Polar Surface Area: 53.3?2
Butanimidic acid,4-hydroxy-, ethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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