3-Amino-5-methylisoxazole - CAS 1072-67-9

Catalog:	BB002013
Product Name:	3-Amino-5-methylisoxazole
CAS:	1072-67-9
Synonyms:	5-methyl-1,2-oxazol-3-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-methyl-1,2-oxazol-3-amine
Description:	A degradation product in water by a bioluminescence method during application of the electro-Fenton treatment.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	CC1=CC(=NO1)N
InChI:	InChI=1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)
InChI Key:	FKPXGNGUVSHWQQ-UHFFFAOYSA-N
Boiling Point:	235.9 °C at 760 mmHg
Melting Point:	59-63 °C
Purity:	95 %
Density:	1.167 g/cm³
Appearance:	Yellow crystalline powder, crystals and chunks
Storage:	Refrigerator
MDL:	MFCD00003155
LogP:	1.14640

Publication Number	Title	Priority Date
CN-113234649-B	Pseudomonas filiformis strain for degrading sulfamethoxazole and application thereof	20210713
CN-112876422-A	Chlorogenic acid derivative used as preservative and preparation method thereof	20210119
CN-111978267-A	Tritium-labeled sulfamethoxazole with high specific activity and preparation method thereof	20200821
CN-111362972-A	Benzimidazole [2,1-b ] thiazole compound and application thereof	20200428
CN-111362972-B	Benzimidazole [2,1-b ] thiazole compound and application thereof	20200428

PMID	Publication Date	Title	Journal
23009796	20121115	Catalytic ozonation of sulphamethoxazole in the presence of carbon materials: catalytic performance and reaction pathways	Journal of hazardous materials
22798801	20120701	4-{[(E)-2,3-Dihy-droxy-benzyl-idene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online
21167641	20110215	Photo-removal of sulfamethoxazole (SMX) by photolytic and photocatalytic processes in a batch reactor under UV-C radiation (λmax=254 nm)	Journal of hazardous materials
20813527	20101015	Synthesis, antimicrobial, and mosquito larvicidal activity of 1-aryl-4-methyl-3,6-bis-(5-methylisoxazol-3-yl)-2-thioxo-2,3,6,10b-tetrahydro-1H-pyrimido[5,4-c]quinolin-5-ones	Bioorganic & medicinal chemistry letters
20833409	20101001	Electrochemical abatement of the antibiotic sulfamethoxazole from water	Chemosphere

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Related Functional Groups

Isoxazoles

[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[126085-91-4]
Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[33277-15-5]
Ethyl 5-(4-bromophenyl)isoxazole-3-carboxylate
[640291-92-5]
Ethyl 5-(4-fluorophenyl)isoxazole-3-carboxylate
[207291-72-3]
Ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate sodium salt hydrate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.048012819
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	98.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1