3,5-Dimethoxybenzamide

C₉H₁₁NO₃CAS 17213-58-0181.19 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₉H₁₁NO₃
Molar mass: 181.19 g/mol
Exact mass: 181.0739 Da
Melting point: 143 °C
logP: 1.59Crippen estimate
Polar surface area: 62.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17213-58-0

SMILES

COc1cc(OC)cc(C(=N)O)c1

InChIKey

YTLRWVNYANKXOW-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO3/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H2,10,11)

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

Names and synonyms

2 names

Benzamide, 3,5-dimethoxy-
NSC 16615

Work with 3,5-Dimethoxybenzamide

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-Methoxybenzamide5813-86-568 % similar 3,4,5-Trimethoxybenzamide3086-62-261 % similar 4-Hydroxy-3,5-dimethoxybenzamide3086-72-459 % similar 3,5-Dimethoxybenzoic acid1132-21-455 % similar 3-Amino-4-methoxybenzamide17481-27-550 % similar 5-Methoxyisophthalic acid46331-50-450 % similar 1,3,5-Trimethoxybenzene621-23-850 % similar 1-(3,5-Dimethoxyphenyl)ethan-1-one39151-19-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R,3S)-3-Phenylisoserine136561-53-0 2,3-Dimethoxybenzamide1521-39-7 3,4-Dimethoxybenzamide1521-41-1 2-Amino-2-(4-methoxyphenyl)acetic acid19789-59-4 (±)-O-Tyrosine2370-61-8 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid2386-33-6 Methyl 2-amino-5-methoxybenzoate2475-80-1 Methyl 3-amino-4-methoxybenzoate24812-90-6

Elsewhere

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