3-Ethoxybenzenamine

C₈H₁₁NOCAS 621-33-0137.18 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₈H₁₁NO
Molar mass: 137.18 g/mol
Exact mass: 137.0841 Da
Density: 1.0666 g/mL (at 20 °C)
Melting point: 204 °C
Boiling point: 248 °C
Flash point: 112.8 °C
Water solubility: 1–5 g/L (20 °C)
logP: 1.67Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed51.3% of notifiers
H311 Toxic in contact with skin51.3% of notifiers
H331 Toxic if inhaled51.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure51.3% of notifiers

Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

621-33-0

SMILES

CCOc1cccc(N)c1

InChIKey

WEZAHYDFZNTGKE-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2,9H2,1H3

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 3-ethoxy-
m-Phenetidine
3-Ethoxyaniline
m-Ethoxyaniline
m-Ethoxyphenylamine
(3-Ethoxyphenyl)amine
NSC 9817
3-Aminophenyl ethyl ether

Work with 3-Ethoxybenzenamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Diethoxybenzene2049-73-269 % similar 1-Ethoxy-3-fluorobenzene458-03-758 % similar 3-Ethoxy thiophenol86704-82-758 % similar 3-(Benzyloxy)aniline1484-26-058 % similar 3,3′-Oxydianiline15268-07-257 % similar M-Anisidine536-90-357 % similar 1-Bromo-3-ethoxybenzene2655-84-756 % similar 3-Ethoxyphenol621-34-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-methylaniline102-50-1 2-(4-Aminophenyl)ethanol104-10-9 2-Methoxy-N-methyaniline10541-78-3 para-Cresidine120-71-8 N-(2-Hydroxyethyl)aniline122-98-5 4-Amino-alpha-methylbenzenemethanol14572-89-5 P-Phenetidine156-43-4 3-Methoxy-4-methylaniline16452-01-0

Elsewhere

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