4-(4-Methyl-1h-imidazol-1-yl)benzenamine

HCID 16005170CAS 102791-87-7

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Basic information

Standard SMILES: Cc1cn(-c2ccc(N)cc2)cn1
InChIKey: PJUPTRYCQKQLCI-UHFFFAOYSA-N
Molecular formula: C10H11N3
Average molar mass: 173.21 g/mol
Monoisotopic mass: 173.09529735

Names & identifiers

Preferred name: 4-(4-Methyl-1h-imidazol-1-yl)benzenamine
IUPAC: 4-(4-methylimidazol-1-yl)aniline
English name: 4-(4-Methyl-1H-imidazol-1-yl)benzenamine
Molecular formula: C10H11N3
Molecular weight: 173.21

Names & synonyms

4-(4-Methyl-1h-imidazol-1-yl)benzenamine102791-87-74-(4-methyl-1H-imidazol-1-yl)aniline4-(4-methylimidazol-1-yl)anilineMFCD09834629Benzenamine, 4-(4-methyl-1H-imidazol-1-yl)-4-(4-Methylimidaole)benzenamine4-(4-methyl-1-imidazolyl)aniline1-(4-Aminophenyl)-4-methyl-1H-imidazoleSCHEMBL264998SCHEMBL27800072DTXSID70580985

Show more names

PJUPTRYCQKQLCI-UHFFFAOYSA-NCS-B04571-(4-Aminophenyl)-4-methylimidazole4-(4-Methyl-imidazol-1-yl)-aniline4-(4-Methylimidazol-1-yl)phenylamineAKOS0052587444-(4-Methyl-imidazol-1-yl)-phenylamineAS-39563

Database identifiers

CAS: 102791-87-7
PubChem CID: 16005170
DTXSID: DTXSID70580985

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 164

Physicochemical properties

Boiling point: 367.6 · 367.6±25.0 °C(Predicted)
Density: 1.17 · 1.17
storage temp.: 2 · 2-8°C
pka: 6.55 · 6.55±0.61(Predicted)
Appearance: Light brown to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-(4-Methyl-1H-imidazol-1-yl)benzenamine is used for preparation of substituted N-phenyl-4-aryl-2-pyrimidinamines as mediator release inhibitors.