4-Methylaniline

C₇H₉NCAS 106-49-0107.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉N
Molar mass: 107.16 g/mol
Exact mass: 107.0735 Da
Density: 1.046 g/mL (at 20 °C)
Melting point: 44–45 °C
Boiling point: 200.4 °C
pKa: 5.1 (conjugate acid, 25 °C)
Flash point: 87 °C (closed cup)
Water solubility: 6.5 g/L (15 °C)
logP: 1.58Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H351 Suspected of causing cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 612-160-00-4[1]), via PubChem.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

106-49-0

SMILES

Cc1ccc(N)cc1

InChIKey

RZXMPPFPUUCRFN-UHFFFAOYSA-N

InChI

InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all

Benzenamine, 4-methyl-
p-Toluidine
4-Methylbenzenamine
p-Aminotoluene
4-Aminotoluene
p-Tolylamine
p-Methylaniline
p-Methylbenzenamine
4-Toluidine
C.I. 37107
C.I. Azoic coupling component 107
Naphtol AS-KG
Naphtol AS-KGLL
1-Amino-4-methylbenzene
p-Methylphenylamine
4-Methylphenylamine
4-Methyl-1-aminobenzene
4-Tolylamine
NSC 114040
NSC 15350
Naphthol AS-KG
4-Amino-1-methylbenzene

Work with 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

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.

4-Methylaniline hydrochloride540-23-8Salt 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt6578-06-9Salt Magenta phosphate6769-80-8Salt

Similar compounds

4-(4-Methylphenoxy)benzenamine41295-20-971 % similar P-Xylene106-42-360 % similar P-Phenylenediamine106-50-360 % similar N-(4-Aminophenyl)-4-methylbenzenesulfonamide6380-08-152 % similar 3,5-Xylidine108-69-050 % similar 4,4''-Diaminoterphenyl3365-85-350 % similar Di-p-tolyl613-33-250 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Cyclohexene-1-carbonitrile100-45-8 Benzylamine100-46-9 N-Methylaniline100-61-8 2-Ethylpyridine100-71-0 M-Toluidine108-44-1 2,4-Lutidine108-47-4 2,6-Lutidine108-48-5 1-Cyclohexene-1-carbonitrile1855-63-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook