2,4,6-Trimethylaniline
Properties
- Molecular formula
- C9H13N
- Molar mass
- 135.21 g/mol
- Exact mass
- 135.1048 Da
- Density
- 96 g/mL
- Melting point
- −5 °C
- Boiling point
- 232–234 °C
- pKa
- 4.38
- Water solubility
- insoluble
- logP
- 2.19Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed10.7% of notifiers
- H302 Harmful if swallowed52.4% of notifiers
- H311 Toxic in contact with skin12.6% of notifiers
- H312 Harmful in contact with skin48.5% of notifiers
- H315 Causes skin irritation57.3% of notifiers
- H319 Causes serious eye irritation59.2% of notifiers
- H330 Fatal if inhaled51.5% of notifiers
- H335 May cause respiratory irritation16.5% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure12.6% of notifiers
Aggregated from 103 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
88-05-1SMILES
Cc1cc(C)c(N)c(C)c1InChIKey
KWVPRPSXBZNOHS-UHFFFAOYSA-NInChI
InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzenamine, 2,4,6-trimethyl-
- Aniline, 2,4,6-trimethyl-
- 2,4,6-Trimethylbenzenamine
- Aminomesitylene
- Mesidine
- Mesitylamine
- Mesitylene, 2-amino-
- 2-Aminomesitylene
- Mesidin
- 2,4,6-Trimethylphenylamine
- 1-Amino-2,4,6-trimethylbenzene
- NSC 31
Work with 2,4,6-Trimethylaniline
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
2-Bromo-4,6-dimethylbenzenamine41825-73-467 % similar
3,3′,5,5′-Tetramethylbenzidine54827-17-765 % similar
4-Amino-3,5-dimethylphenol3096-70-659 % similar
4-Iodo-2,6-dimethylbenzenamine4102-53-859 % similar
4-Chloro-2,6-dimethylaniline24596-18-757 % similar
4-Bromo-2,6-dimethylbenzenamine24596-19-857 % similar
4,4′-Methylenebis(2,6-dimethylaniline)4073-98-757 % similar
3,3′,5,5′-Tetramethylbenzidine dihydrochloride64285-73-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.