Cas no 109831-72-3 (2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester, (2E)-)
109831-72-3 structure
Product Name:2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester, (2E)-
CAS No:109831-72-3
MF:C7H13NO3
MW:159.183022260666
CID:1188234
PubChem ID:5709594
Update Time:2025-04-20
2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester, (2E)-
- ethyl (2E)-3-amino-3-ethoxyacrylate
- 39632-87-6
- SCHEMBL12602888
- Ethyl (2E)-3-amino-3-ethoxy-2-propenoate
- ethyl (E)-3-amino-3-ethoxyprop-2-enoate
- NSC-128083
- DTXSID901273441
- ethyl-3-amino-3-ethoxyacrylate
- ethyl 3-amino-3-ethoxyacrylate
- ethyl 3-amino-3-ethoxy-prop-2-enoate
- 109831-72-3
- NSC128083
- 2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester
- XLTPBSBNLKQLHB-AATRIKPKSA-N
-
- Inchi： 1S/C7H13NO3/c1-3-10-6(8)5-7(9)11-4-2/h5H,3-4,8H2,1-2H3/b6-5+
- InChI Key： XLTPBSBNLKQLHB-AATRIKPKSA-N
- SMILES： O(/C(=C/C(=O)OCC)/N)CC
Computed Properties
- Exact Mass: 159.08959
- Monoisotopic Mass: 159.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 154
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 61.6?2
Experimental Properties
- PSA: 61.55
2-Propenoic acid, 3-amino-3-ethoxy-, ethyl ester, (2E)- Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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