2,3-Dimethoxybenzylamine

C₉H₁₃NO₂CAS 4393-09-3167.21 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₉H₁₃NO₂
Molar mass: 167.21 g/mol
Exact mass: 167.0946 Da
Density: 1.1243 g/mL (at 0 °C)
Melting point: 229–230 °C
Boiling point: 137 °C (at 11 Torr)
logP: 1.16Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation95.3% of notifiers
H319 Causes serious eye irritation95.3% of notifiers
H335 May cause respiratory irritation95.3% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4393-09-3

SMILES

COc1cccc(CN)c1OC

InChIKey

LVMPWFJVYMXSNY-UHFFFAOYSA-N

InChI

InChI=1S/C9H13NO2/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5H,6,10H2,1-2H3

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Names and synonyms

6 names

Benzenemethanamine, 2,3-dimethoxy-
2,3-Dimethoxybenzenemethanamine
o-Veratrylamine
Benzylamine, 2,3-dimethoxy-
[(2,3-Dimethoxyphenyl)methyl]amine
(2,3-Dimethoxyphenyl)methanamine

Work with 2,3-Dimethoxybenzylamine

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

2-Methoxybenzylamine6850-57-369 % similar 2,3-Dimethoxyphenethylamine3213-29-469 % similar 1-(Chloromethyl)-2,3-dimethoxybenzene3893-01-463 % similar 2,3-Dimethoxybenzyl alcohol5653-67-863 % similar 1,2,3-Trimethoxybenzene634-36-659 % similar 2,3-Dimethoxyaniline6299-67-855 % similar 2,3-Dimethoxyphenylacetic acid90-53-953 % similar 3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azaspirodecanedione1075-89-4 1-Cyanocyclohexaneacetic acid133481-09-1 2-(2-Methoxyphenoxy)ethanamine1836-62-0 2,4-Dimethoxybenzylamine20781-20-8 2,6-Dimethoxybenzylamine20781-22-0 Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-2 Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-1 (1S,2S)-2-Amino-1-phenyl-1,3-propanediol28143-91-1

Elsewhere

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