5-Amino-3-methylisoxazole - CAS 14678-02-5
Catalog: |
BB010121 |
Product Name: |
5-Amino-3-methylisoxazole |
CAS: |
14678-02-5 |
Synonyms: |
3-methyl-1,2-oxazol-5-amine |
IUPAC Name: | 3-methyl-1,2-oxazol-5-amine |
Description: | 5-Amino-3-methylisoxazole (CAS# 14678-02-5) is a widely used reactant. 5-Amino-3-methylisoxazole has been used as a reactant for the preparation of heterocycle fused pyridinecarboxylic acids. |
Molecular Weight: | 98.10 |
Molecular Formula: | C4H6N2O |
Canonical SMILES: | CC1=NOC(=C1)N |
InChI: | InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3 |
InChI Key: | FNXYWHTZDAVRTB-UHFFFAOYSA-N |
Boiling Point: | 231.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.167 g/cm3 |
Appearance: | Yellow to orange-brown crystalline powder |
MDL: | MFCD00003151 |
LogP: | 1.14640 |
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 |
Publication Number | Title | Priority Date |
US-2016075663-A1 | BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS | 20140912 |
WO-2015150337-A1 | Lim kinase inhibitors | 20140401 |
WO-2015077375-A1 | Quinazoline derivatives as tam family kinase inhibitors | 20131120 |
US-2016200674-A1 | Ido inhibitors | 20130827 |
WO-2015031295-A1 | Ido inhibitors | 20130827 |
PMID | Publication Date | Title | Journal |
22383332 | 20120601 | Efficient regioselective synthesis and potential antitumor evaluation of isoxazolo[5,4-b]pyridines and related annulated compounds | Archiv der Pharmazie |
21583871 | 20090418 | 4-(4-Methoxy-phen-yl)-3-methyl-1,6-di-oxa-2,8-diaza-s-indacen-5(7H)-one | Acta crystallographica. Section E, Structure reports online |
16341270 | 20050101 | The synthesis, physicochemical properties and immunological activity of 5-amino-3-methylisoxazolo[5,4-d]4-pyrimidinone derivatives | Cellular & molecular biology letters |
11315337 | 20010301 | Reactions of 5-amino-3-methylisoxazole-4-carboxylic acid hydrazide with carbonyl compounds: immunological activity and QSAR studies of products | Archiv der Pharmazie |
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: | 0.4 |
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