5-Benzyl-1,2,4-oxadiazol-3-amine - CAS 35604-35-4
Catalog: |
BB022691 |
Product Name: |
5-Benzyl-1,2,4-oxadiazol-3-amine |
CAS: |
35604-35-4 |
Synonyms: |
5-(phenylmethyl)-1,2,4-oxadiazol-3-amine; 5-benzyl-1,2,4-oxadiazol-3-amine |
IUPAC Name: | 5-benzyl-1,2,4-oxadiazol-3-amine |
Description: | 5-Benzyl-1,2,4-oxadiazol-3-amine (CAS# 35604-35-4) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C9H9N3O |
Canonical SMILES: | C1=CC=C(C=C1)CC2=NC(=NO2)N |
InChI: | InChI=1S/C9H9N3O/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12) |
InChI Key: | IYGOAQQRJOCCBB-UHFFFAOYSA-N |
LogP: | 1.82380 |
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 |
EP-2595970-A1 | Derivatives of oxadiazole and pyridazine, their preparation and their application in therapeutics | 20100723 |
EP-2595970-B1 | Derivatives of oxadiazole and pyridazine, their preparation and their application in therapeutics | 20100723 |
FR-2963005-A1 | DERIVATIVES OF OXADIAZOLES AND PYRIDAZINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION | 20100723 |
US-2013137691-A1 | Derivatives of oxadiazole and pyridazine, their preparation and their application in therapeutics | 20100723 |
WO-2012011081-A1 | Derivatives of oxadiazole and pyridazine, their preparation and their application in therapeutics | 20100723 |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.074561919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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