2-Ethylaniline
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.982 g/mL (at 20 °C)
- Melting point
- −46.5 °C
- Boiling point
- 209.65 °C
- pKa
- 4.3 (conjugate acid)
- Flash point
- 85 °C (open cup)
- Water solubility
- insoluble
- logP
- 1.83Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed58.4% of notifiers
- H311+H331 Toxic in contact with skin or if inhaled.23.2% of notifiers
- H311 Toxic in contact with skin83.2% of notifiers
- H315 Causes skin irritation26.4% of notifiers
- H319 Causes serious eye irritation36% of notifiers
- H331 Toxic if inhaled58.4% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure37.6% of notifiers
Aggregated from 125 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
578-54-1SMILES
CCc1ccccc1NInChIKey
MLPVBIWIRCKMJV-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-2-7-5-3-4-6-8(7)9/h3-6H,2,9H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzenamine, 2-ethyl-
- Aniline, o-ethyl-
- 2-Ethylbenzenamine
- o-Ethylaniline
- o-Aminoethylbenzene
- 2-Ethylphenylamine
- NSC 62014
Work with 2-Ethylaniline
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
1,2-Diethylbenzene135-01-362 % similar
2-Propylaniline1821-39-262 % similar
2,6-Diethylaniline579-66-858 % similar
2-(Aminomethyl)aniline4403-69-456 % similar
4-Bromo-2-ethylaniline45762-41-255 % similar
2-Aminobenzyl alcohol5344-90-154 % similar
2-Benzylaniline28059-64-552 % similar
4,4′-Methylenebis[2-ethylbenzenamine]19900-65-352 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.