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

Technical Data

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Computed Properties

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

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

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Related Functional Groups

Carbonyl Compounds

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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

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