4-Aminoisoxazole Hydrochloride - CAS 108511-98-4
Catalog: |
BB074698 |
Product Name: |
4-Aminoisoxazole Hydrochloride |
CAS: |
108511-98-4 |
Synonyms: |
4-Aminoisoxazole hydrochloride; isoxazol-4-amine hydrochloride; 4-Aminoisoxazole, HCl; 1,2-oxazol-4-amine; hydrochloride; 4-Isoxazolamine hydrochloride; Isoxazol-4-ylamine hydrochloride; 4-Isoxazolamine, monohydrochloride |
IUPAC Name: | 1,2-oxazol-4-aminehydrochloride |
Molecular Weight: | 84.08+(36.46) |
Molecular Formula: | C3H4N2O·HCl |
Canonical SMILES: | C1=C(C=NO1)N.Cl |
InChI: | InChI=1S/C3H4N2O.ClH/c4-3-1-5-6-2-3/h1-2H,4H21H |
InChI Key: | DPDLVZSIELSTBG-UHFFFAOYSA-N |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 120.0090405 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 120.0090405 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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