4-(1H-Imidazol-1-yl)aniline

C9H9N3CAS 2221-00-3159.19 g/mol

Open in Covalent MOL file
H2NNN
Primary amine

Properties

Molecular formula
C9H9N3
Molar mass
159.19 g/mol
Exact mass
159.0796 Da
Melting point
141–143 °C
logP
1.45Crippen estimate
Polar surface area
43.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
2221-00-3
SMILES
Nc1ccc(-n2ccnc2)cc1
InChIKey
LVOASPZGXNAHJI-UHFFFAOYSA-N
InChI
InChI=1S/C9H9N3/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2

Weigh it out

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

Names and synonyms

10 names
  • Benzenamine, 4-(1H-imidazol-1-yl)-
  • Imidazole, 1-(p-aminophenyl)-
  • 4-(1H-Imidazol-1-yl)benzenamine
  • 1-(p-Aminophenyl)imidazole
  • 1-(4-Aminophenyl)imidazole
  • 4-(1-Imidazolyl)aniline
  • 1-(4-Aminophenyl)-1H-imidazole
  • 4-[Imidazol-1-yl]phenylamine
  • (4-Imidazolylphenyl)amine
  • NSC 266462

Work with 4-(1H-Imidazol-1-yl)aniline

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl855766-92-667 % similar Tris[4-(1H-imidazol-1-yl)-phenyl]amine1258947-79-362 % similar 1-Phenylimidazole7164-98-961 % similar 1-(4-Bromophenyl)imidazole10040-96-760 % similar 4-(1H-Imidazol-1-yl)phenol10041-02-860 % similar 1-(4-Fluorophenyl)imidazole21441-24-760 % similar 1,3,5-Tri(1H-imidazol-1-yl)benzene528543-96-656 % similar 1-(4-Methoxyphenyl)-1H-imidazole10040-95-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-5-phenylpyrazole1572-10-7 2-Hydrazinoquinoline15793-77-8 4-(1H-Pyrazol-1-yl)aniline17635-45-9 4-Phenyl-1H-pyrazol-5-amine57999-06-1 3-Amino-5-phenylpyrazole827-41-8

Elsewhere

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