3-Ethoxybenzhydrazide

C₉H₁₂N₂O₂CAS 27830-16-6180.21 g/mol

Open in Covalent MOL file

Amide Ether Primary amine

Properties

Molecular formula: C₉H₁₂N₂O₂
Molar mass: 180.21 g/mol
Exact mass: 180.0899 Da
logP: 0.69Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

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

27830-16-6

SMILES

CCOC1=CC=CC(=C1)C(=O)NN

InChIKey

ROKJUCOMVRXSAC-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O2/c1-2-13-8-5-3-4-7(6-8)9(12)11-10/h3-6H,2,10H2,1H3,(H,11,12)

Weigh it out

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

Work with 3-Ethoxybenzhydrazide

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-Ethoxybenzoyl chloride61956-65-859 % similar 3-Ethoxybenzoic acid621-51-259 % similar 1,3-Diethoxybenzene2049-73-251 % similar 3-Ethoxybenzamide55836-69-651 % similar 3,5-Dimethoxybenzhydrazide51707-38-149 % similar 3-Ethoxy thiophenol86704-82-749 % similar 3-(Trifluoromethyl)benzoic acid hydrazide22227-25-448 % similar 3-Ethoxybenzenamine621-33-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethoxybenzhydrazide21018-13-3 p-Amino-DL-phenylalanine hydrate2922-41-0 Ethyl 3,4-diaminobenzoate37466-90-3 1-(2-Furoyl)piperazine40172-95-0 4-Amino-N-(2-hydroxyethyl)benzamide54472-45-6 2-(4-Methoxyphenyl)acetohydrazide57676-49-0 4-Ethoxybenzhydrazide58586-81-5 N-(3-Amino-4-methoxyphenyl)acetamide6375-47-9

Elsewhere

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