Cas no 50697-87-5 (2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester)
50697-87-5 structure
Product Name:2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester
CAS No:50697-87-5
MF:C6H11NO3
MW:145.156441926956
CID:364254
PubChem ID:71366473
Update Time:2025-04-19
2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester
- methyl 3-amino-3-ethoxyprop-2-enoate
- SCHEMBL11623721
- 50697-87-5
- 3-amino-3-ethoxyacrylic acid methyl ester
- DTXSID50789833
- BXHXCLSRWTYWNA-UHFFFAOYSA-N
-
- Inchi: 1S/C6H11NO3/c1-3-10-5(7)4-6(8)9-2/h4H,3,7H2,1-2H3
- InChI Key: BXHXCLSRWTYWNA-UHFFFAOYSA-N
- SMILES: O(C(=CC(=O)OC)N)CC
Computed Properties
- Exact Mass: 145.07393
- Monoisotopic Mass: 145.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 142
- 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: 0.8
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.55
2-Propenoic acid, 3-amino-3-ethoxy-, methyl ester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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