3,4-(Methylenedioxy)benzohydrazide

C₈H₈N₂O₃CAS 22026-39-7180.16 g/mol

Open in Covalent MOL file

Acetal Ether Hydrazone Primary amine

Properties

Molecular formula: C₈H₈N₂O₃
Molar mass: 180.16 g/mol
Exact mass: 180.0535 Da
Melting point: 175–176 °C
logP: 0.59Crippen estimate
Polar surface area: 77.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

22026-39-7

SMILES

NN=C(O)c1ccc2c(c1)OCO2

InChIKey

RAXBGBHBUFGWPG-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

1,3-Benzodioxole-5-carboxylic acid, hydrazide
Piperonylic acid, hydrazide
3,4-Methylenedioxybenzhydrazide
2H-Benzo[d]-1,3-dioxolane-5-carbohydrazide
1,3-Benzodioxole-5-carbohydrazide
5-(Hydrazinocarbonyl)benzo[d][1,3]dioxole
Benzo[d][1,3]dioxole-5-carbohydrazide
1,3-Dioxaindane-5-carbohydrazide
2H-1,3-Benzodioxole-5-carbohydrazide

Work with 3,4-(Methylenedioxy)benzohydrazide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Diethoxybenzohydrazide380482-31-575 % similar Veratric acid hydrazide41764-74-362 % similar 1,3-Benzodioxole-5-carboxylic acid94-53-154 % similar Isophthalic dihydrazide2760-98-753 % similar 3,4-Dihydroxybenzoic acid hydrazide39635-11-551 % similar 2-Naphthohydrazide39627-84-450 % similar 3,4,5-Trimethoxybenzohydrazide3291-03-048 % similar 3-Amino-4-hydroxybenzoic acid hydrazide7450-57-948 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((4-Aminophenyl)amino)-2-oxoacetic acid103-92-4 Nitroacetanilide104-04-1 3-Nitroacetanilide122-28-1 4-Methyl-3-nitrobenzamide19013-11-7 N-(2-Nitrophenyl)acetamide552-32-9 Nicotinuric acid583-08-4 3-Methyl-4-nitrobenzamide99584-85-7

Elsewhere

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