5-(4-Aminophenyl)-1,3,4-oxadiazol-2-ol - CAS 113118-47-1
Catalog: |
BB061412 |
Product Name: |
5-(4-Aminophenyl)-1,3,4-oxadiazol-2-ol |
CAS: |
113118-47-1 |
Synonyms: |
5-(4-aminophenyl)-1,3,4-oxadiazol-2-ol; 5-(4-aminophenyl)-1,3,4-oxadiazol-2(3H)-one; 5-(4-aminophenyl)-3H-1,3,4-oxadiazol-2-one; 1,3,4-Oxadiazol-2(3H)-one, 5-(4-aminophenyl)- |
IUPAC Name: | 5-(4-aminophenyl)-3H-1,3,4-oxadiazol-2-one |
Description: | 5-(4-aminophenyl)-1,3,4-oxadiazol-2-ol (cas# 113118-47-1) is a useful research chemical. |
Molecular Weight: | 177.16 |
Molecular Formula: | C8H7N3O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNC(=O)O2)N |
InChI: | InChI=1S/C8H7N3O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,9H2,(H,11,12) |
InChI Key: | XYEUOVMKEQAHOS-UHFFFAOYSA-N |
Melting Point: | 163 - 167°C |
Solubility: | Chloroform (Slightly), DMSO (Slightly),Methanol (Slightly, Heated) |
Appearance: | Pale Yellow to Pale Beige Solid |
Storage: | -20°C, Hygroscopic |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2006251159-A1 | Thiazole derivatives and use thereof | 20050524 |
AU-2006251159-B2 | Thiazole derivatives and use thereof | 20050524 |
BR-PI0610341-A2 | thiazole derivatives and their use | 20050524 |
CA-2607385-A1 | Thiazole derivatives and their use for the treatment and/or prophylaxis of disorders and diseases | 20050524 |
EA-015628-B1 | TIAZOLE DERIVATIVES AND THEIR APPLICATION | 20050524 |
EP-1888546-A1 | Thiazole derivatives and use thereof | 20050524 |
EP-1888546-B1 | Thiazole derivatives and use thereof | 20050524 |
JP-2008545679-A | Thiazole derivatives and their use | 20050524 |
JP-5290751-B2 | Thiazole derivatives and their use | 20050524 |
KR-20080015119-A | Thiazole derivatives and uses thereof | 20050524 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.053826475 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.053826475 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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