Cas no 2172852-93-4 (1-(Isoxazol-5-yl)ethanaminedihydrochloride)
2172852-93-4 structure
Product Name:1-(Isoxazol-5-yl)ethanaminedihydrochloride
CAS No:2172852-93-4
MF:C5H10Cl2N2O
MW:185.05169916153
CID:5576011
PubChem ID:133080662
Update Time:2023-08-02
1-(Isoxazol-5-yl)ethanaminedihydrochloride Chemical and Physical Properties
Names and Identifiers
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- 2172852-93-4
- 1-(Isoxazol-5-yl)ethanaminedihydrochloride
- 1-(Isoxazol-5-yl)ethanamine dihydrochloride
- 1-Isoxazol-5-yl-ethylamine dihydrochloride
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- Inchi： 1S/C5H8N2O.2ClH/c1-4(6)5-2-3-7-8-5;;/h2-4H,6H2,1H3;2*1H
- InChI Key： DALCLLRIBPOFFM-UHFFFAOYSA-N
- SMILES： Cl.Cl.O1C(=CC=N1)C(C)N
Computed Properties
- Exact Mass: 184.0170183g/mol
- Monoisotopic Mass: 184.0170183g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 76.8
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52?2
1-(Isoxazol-5-yl)ethanaminedihydrochloride Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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