chempirical

4-Methylaniline

C7H9NCAS 106-49-0107.16 g/mol

Open in Covalent MOL file
NH2
Primary amine

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
logP
1.58Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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

Similar compounds

4-Methylaniline hydrochloride540-23-883 % similar 4-(4-Methylphenoxy)benzenamine41295-20-971 % similar P-Xylene106-42-360 % similar P-Phenylenediamine106-50-360 % similar 3,5-Xylidine108-69-050 % similar Di-P-tolyl613-33-250 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar 4-Aminophenyl disulfide722-27-050 % 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

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