N-Methylaniline
Properties
- Molecular formula
- C7H9N
- Molar mass
- 107.16 g/mol
- Exact mass
- 107.0735 Da
- Density
- 0.989 g/mL (at 20 °C)
- Melting point
- −57 °C
- Boiling point
- 196.25 °C
- pKa
- 4.848 (25 °C)
- Flash point
- 79.5 °C (closed cup)
- Water solubility
- 1–5 g/L (21.5 °C)
- logP
- 1.73Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H331 Toxic if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
100-61-8SMILES
CNc1ccccc1InChIKey
AFBPFSWMIHJQDM-UHFFFAOYSA-NInChI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
13 names · show all
- Benzenamine, N-methyl-
- Aniline, N-methyl-
- N-Methylbenzenamine
- Anilinomethane
- Methylaniline
- (Methylamino)benzene
- N-Methylphenylamine
- N-Monomethylaniline
- N-Phenylmethylamine
- N-Phenyl-N-methylamine
- N-Methyl-N-phenylamine
- Methyl(phenyl)amine
- NSC 3502
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 100-61-8. Each row opens the sheet with its composition and PDF.
Work with N-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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
N,3-Dimethylaniline696-44-657 % similar
N-Methyl-p-toluidine623-08-552 % similar
Diphenylamine122-39-450 % similar
Hydrazobenzene122-66-750 % similar
N-Methyl-p-aminophenol150-75-450 % similar
N-Methyl-3-pyridinamine18364-47-150 % similar
3-Fluoro-N-methylaniline1978-37-650 % similar
4-Fluoro-N-methylaniline459-59-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds