2,4,6-Trimethoxybenzylamine hydrochloride

C₁₀H₁₆ClNO₃CAS 146548-59-6233.69 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₀H₁₆ClNO₃
Molar mass: 233.69 g/mol
Exact mass: 233.0819 Da
logP: 1.59Crippen estimate
Polar surface area: 53.7 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

146548-59-6

SMILES

COC1=CC(=C(C(=C1)OC)CN)OC.Cl

InChIKey

BLFRMOOGAICNSZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H15NO3.ClH/c1-12-7-4-9(13-2)8(6-11)10(5-7)14-3;/h4-5H,6,11H2,1-3H3;1H

Weigh it out

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Work with 2,4,6-Trimethoxybenzylamine hydrochloride

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

2,4-Dimethoxybenzylamine hydrochloride20781-21-962 % similar 2,6-Dimethoxybenzylamine20781-22-055 % similar 2,4,6-Trimethoxybenzyl alcohol61040-78-653 % similar 2,4-Dimethoxybenzylamine20781-20-853 % similar (3,5-Dimethoxyphenyl)methanamine34967-24-352 % similar 2,5-Dimethoxybenzenemethanamine3275-95-449 % similar Veratrylamine5763-61-147 % similar 2,5-Dimethoxyphenethylamine hydrochloride3166-74-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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