Cas no 352-83-0 (Butanoic acid,3-[(aminoiminomethyl)amino]-)
![Butanoic acid,3-[(aminoiminomethyl)amino]- structure](https://ossimg.kuujia.com/scimg/500/352-83-0x500.png)
352-83-0 structure
Product Name:Butanoic acid,3-[(aminoiminomethyl)amino]-
Butanoic acid,3-[(aminoiminomethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-[(aminoiminomethyl)amino]-
- 3-(diaminomethylideneamino)butanoic acid
- 3-carbamimidamidobutanoic acid
- 3-Guanidino-buttersaeure
- 3-Guanidinobutyric acid
- 3-Guanidino-butyric acid
- AC1L3ZEC
- AC1Q5V6V
- DL-3-Guanidino-buttersaeure
- CHEMBL21110
- 3-([Amino(imino)methyl]amino)butanoic acid #
- NSC 49063
- .beta.-GBA
- beta-Guanidinobutyric acid
- KKGUWQNQEARROH-UHFFFAOYSA-N
- NSC49063
- Butanoic acid, 3-((aminoiminomethyl)amino)-
- SCHEMBL5170315
- beta-GBA
- .beta.-Guanidinobutyric acid
- AKOS006338641
- NSC-49063
- 352-83-0
-
- Inchi： 1S/C5H11N3O2/c1-3(2-4(9)10)8-5(6)7/h3H,2H2,1H3,(H,9,10)(H4,6,7,8)
- InChI Key： KKGUWQNQEARROH-UHFFFAOYSA-N
- SMILES： OC(CC(C)/N=C(\N)/N)=O
Computed Properties
- Exact Mass: 145.08523
- Monoisotopic Mass: 145.085
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 151
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.4
- Topological Polar Surface Area: 102?2
Experimental Properties
- Density: 1.38
- Boiling Point: 346.4°Cat760mmHg
- Flash Point: 163.3°C
- Refractive Index: 1.561
- PSA: 101.7
Butanoic acid,3-[(aminoiminomethyl)amino]- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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4. 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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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