3,4-Diethoxybenzeneethanamine

C₁₂H₁₉NO₂CAS 61381-04-2209.29 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₁₂H₁₉NO₂
Molar mass: 209.29 g/mol
Exact mass: 209.1416 Da
Density: 1.0366 g/mL (at 25 °C)
Boiling point: 162 °C (at 13 Torr)
logP: 1.99Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% 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, P273, 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

61381-04-2

SMILES

CCOc1ccc(CCN)cc1OCC

InChIKey

YOUNXJAJHCCMNK-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzeneethanamine, 3,4-diethoxy-
Phenethylamine, 3,4-diethoxy-
2-(3,4-Diethoxyphenyl)ethylamine
3,4-Diethoxyphenethylamine
2-(3,4-Diethoxyphenyl)ethanamine
2-(3,4-Diethoxyphenyl)ethan-1-amine

Work with 3,4-Diethoxybenzeneethanamine

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

1,3-Benzodioxole-5-ethanamine1484-85-171 % similar 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-165 % similar 3,4-Dimethoxyphenethylamine120-20-759 % similar 3,4-Diethoxybenzeneacetonitrile27472-21-554 % similar 3,4-Diethoxyaniline39052-12-553 % similar 2,3-Dihydro-1,4-benzodioxin-6-methylamine17413-10-450 % similar 3,4-Diethoxybenzeneacetic acid38464-04-950 % similar 3-Methoxytyramine554-52-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mirogabalin1138245-13-2 1-Boc-4-ethynylpiperidine287192-97-6 tert-Butyl 3-ethynylpiperidine-1-carboxylate664362-16-7 Octyl cyanoacrylate6701-17-3

Elsewhere

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