(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine Hydrochloride - CAS 1216872-37-5
Catalog: |
BB058225 |
Product Name: |
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine Hydrochloride |
CAS: |
1216872-37-5 |
Synonyms: |
3-Phenyl-1,2,4-oxadiazole-5-methanamine Hydrochloride; (3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine Hydrochloride; (3-Phenyl-1,2,4-oxadiazol-5-yl)methylamine Hydrochloride; 5-Aminomethyl-3-phenyl-1,2,4-oxadiazole Hydrochloride |
IUPAC Name: | (3-phenyl-1,2,4-oxadiazol-5-yl)methanaminehydrochloride |
Description: | (3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine Hydrochloride is used in preparation of Erythromycin-based macrolides for treatment and/or prevention of infectious diseases. |
Molecular Weight: | 175.19 + 36.46 |
Molecular Formula: | C9H9N3O·HCl |
Canonical SMILES: | C1=CC=C(C=C1)C2=NOC(=N2)CN.Cl |
InChI: | InChI=1S/C9H9N3O.ClH/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H21H |
InChI Key: | UXYCPKAVPVNXAB-UHFFFAOYSA-N |
Melting Point: | >170°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Very Slightly) |
Appearance: | White to Off-White Solid |
Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
References: | Sugimoto, T., et al.:Jpn. Kokai Tokkyo Koho, (2014). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2003214442-A1 | Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain | 20020322 |
CA-2479150-A1 | Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain | 20020322 |
EP-1490340-A1 | Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain | 20020322 |
US-2005107388-A1 | Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain | 20020322 |
US-7285563-B2 | Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain | 20020322 |
WO-03080578-A1 | Heteroaromatic urea derivatives as vr-1 receptor modulators for treating pain | 20020322 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0512396 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0512396 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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