3,4-(Methylenedioxy)benzhydrazide - CAS 22026-39-7
Catalog: |
BB017298 |
Product Name: |
3,4-(Methylenedioxy)benzhydrazide |
CAS: |
22026-39-7 |
Synonyms: |
1,3-benzodioxole-5-carbohydrazide; 1,3-benzodioxole-5-carbohydrazide |
IUPAC Name: | 1,3-benzodioxole-5-carbohydrazide |
Description: | 3,4-Methylenedioxybenzhydrazide can be used for development of neglected diseases drug candidates. |
Molecular Weight: | 180.16 |
Molecular Formula: | C8H8N2O3 |
Canonical SMILES: | C1OC2=C(O1)C=C(C=C2)C(=O)NN |
InChI: | InChI=1S/C8H8N2O3/c9-10-8(11)5-1-2-6-7(3-5)13-4-12-6/h1-3H,4,9H2,(H,10,11) |
InChI Key: | RAXBGBHBUFGWPG-UHFFFAOYSA-N |
Density: | 1.406 g/cm3 |
Solubility: | Slightly soluble in water |
Appearance: | Solid |
MDL: | MFCD00060505 |
LogP: | 1.11000 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (16.67%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112079744-A | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 20190613 |
CN-112079744-B | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 20190613 |
WO-2019001342-A1 | Amino alcohol derivative, its pharmaceutical composition and use | 20170630 |
US-2019284173-A1 | Triazole phenyl compounds as agonists of the apj receptor | 20161116 |
EP-3541810-B1 | Triazole phenyl compounds as agonists of the apj receptor | 20161116 |
PMID | Publication Date | Title | Journal |
21581672 | 20081206 | N'-(2-Hydr-oxy-3-methoxy-benzyl-idene)-1,3-benzodioxole-5-carbohydrazide monohydrate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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