N-Ethyl-4-methylaniline
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Boiling point
- 217 °C
- logP
- 2.43Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H300 Fatal if swallowed18.8% of notifiers
- H301 Toxic if swallowed81.2% of notifiers
- H310 Fatal in contact with skin18.8% of notifiers
- H311 Toxic in contact with skin81.2% of notifiers
- H315 Causes skin irritation18.8% of notifiers
- H319 Causes serious eye irritation18.8% of notifiers
- H330 Fatal if inhaled18.8% of notifiers
- H331 Toxic if inhaled81.2% of notifiers
- H335 May cause respiratory irritation12.5% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure81.2% of notifiers
- H412 Harmful to aquatic life with long lasting effects93.8% of notifiers
Aggregated from 16 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
622-57-1SMILES
CCNc1ccc(C)cc1InChIKey
AASABFUMCBTXRL-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-3-10-9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzenamine, N-ethyl-4-methyl-
- p-Toluidine, N-ethyl-
- N-Ethyl-4-methylbenzenamine
- N-Ethyl-p-toluidine
- p-Methyl-N-ethylaniline
- N-Ethyl-p-methylaniline
- N-Ethyl-4-toluidine
- NSC 8889
- 4-(Ethylamino)toluene
Work with N-Ethyl-4-methylaniline
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
N-Ethylaniline103-69-558 % similar
4-Chloro-N-ethylbenzenamine13519-75-058 % similar
Bis(4-methylphenyl)amine620-93-952 % similar
(4-Methylphenyl)hydrazine539-44-648 % similar
N-Methyl-p-toluidine623-08-548 % similar
N-Ethyl-4-(trifluoromethoxy)aniline175278-20-347 % similar
N,N'-Di-(4-methyl-phenyl)-benzidine10311-61-246 % similar
N-Ethyl-4-methylbenzenesulfonamide80-39-745 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.