Cas no 21112-45-8 (2-Butenoic acid, 3-amino-)
2-Butenoic acid, 3-amino- structure
Product Name:2-Butenoic acid, 3-amino-
CAS No:21112-45-8
MF:C4H7NO2
MW:101.103881120682
CID:1398566
PubChem ID:19107567
Update Time:2025-04-20
2-Butenoic acid, 3-amino- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, 3-amino-
- 3-aminobut-2-enoic acid
- STR08507
- 3-aminocrotonic acid
- 21112-45-8
- (Z)-3-aminobut-2-enoic acid
- SCHEMBL295714
- UKVYVZLTGQVOPX-IHWYPQMZSA-N
- beta-aminocrotonic acid
- AKOS006350040
- AKOS037655923
-
- Inchi： 1S/C4H7NO2/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
- InChI Key： UKVYVZLTGQVOPX-IHWYPQMZSA-N
- SMILES： OC(/C=C(/C)\N)=O
Computed Properties
- Exact Mass: 101.04771
- Monoisotopic Mass: 101.048
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 106
- 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: 0.3
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
2-Butenoic acid, 3-amino- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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