Pramipexole Impurity 26 - CAS 4570-41-6
Catalog: |
BB025969 |
Product Name: |
Pramipexole Impurity 26 |
CAS: |
4570-41-6 |
Synonyms: |
Benzo[d]oxazol-2-amine; 2-Benzoxazolamine; 2-Aminobenzoxazole |
IUPAC Name: | 1,3-benzoxazol-2-amine |
Description: | An impurity of Pramipexole which is a thiazole derivative usually used as a D2-receptor agonist. |
Molecular Weight: | 134.14 |
Molecular Formula: | C7H6N2O |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(O2)N |
InChI: | InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9) |
InChI Key: | JPBLHOJFMBOCAF-UHFFFAOYSA-N |
Boiling Point: | 278 °C at 760 mmHg |
Melting Point: | 128-130 °C |
Purity: | 96.0 % |
Density: | 1.317 g/cm3 |
Solubility: | Soluble in DMSO, Chloroform, Ethyl Acetate |
Appearance: | Off-white to light brown solid |
Storage: | Store at -20 °C |
MDL: | MFCD00182850 |
LogP: | 1.99120 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112289952-A | Organic electroluminescent device | 20201028 |
CN-112209894-A | 5-aryl substituted 2-aminobenzoxazole derivative, preparation method and application thereof | 20201023 |
CN-111808042-A | Triarylamine compound and organic electroluminescent device thereof | 20200731 |
CN-111808042-B | Triarylamine compound and organic electroluminescent device thereof | 20200731 |
CN-111393384-A | Application of cuprous complex containing ortho-carborane Schiff base ligand | 20200407 |
PMID | Publication Date | Title | Journal |
22494615 | 20120501 | Preparation, antibacterial evaluation and preliminary structure-activity relationship (SAR) study of benzothiazol- and benzoxazol-2-amine derivatives | Bioorganic & medicinal chemistry letters |
16676998 | 20060501 | Solid-phase synthesis of the 2-aminobenzoxazole library using thioether linkage as the safety-catch linker | Journal of combinatorial chemistry |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.048012819 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Related Functional Groups
Benzoxazole/Benzothiazole
Oxazole/Thiazole
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