Cas no 923001-77-8 (2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester)
![2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/923500/923001-77-8x500.png)
923001-77-8 structure
Product Name:2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester
CAS No:923001-77-8
MF:C8H16N2O2
MW:172.224842071533
CID:739150
PubChem ID:71446111
Update Time:2025-04-19
2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester
- ethyl 3-(2-aminoethylamino)but-2-enoate
- ETHYL 3-[(2-AMINOETHYL)AMINO]BUT-2-ENOATE
- 923001-77-8
- DTXSID50854611
-
- Inchi： 1S/C8H16N2O2/c1-3-12-8(11)6-7(2)10-5-4-9/h6,10H,3-5,9H2,1-2H3
- InChI Key： PNXOBCTWOZVAJV-UHFFFAOYSA-N
- SMILES： O(CC)C(C=C(C)NCCN)=O
Computed Properties
- Exact Mass: 172.121177757g/mol
- Monoisotopic Mass: 172.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 166
- 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: 0.7
- Topological Polar Surface Area: 64.4?2
2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
923001-77-8 (2-Butenoic acid, 3-[(2-aminoethyl)amino]-, ethyl ester) Related Products
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