chempirical

Tris(4-bromophenyl)amine

C18H12Br3NCAS 4316-58-9482.01 g/mol

Open in Covalent MOL file
BrNBrBr
Aryl halideTertiary amine

Properties

Molecular formula
C18H12Br3N
Molar mass
482.01 g/mol
Exact mass
478.8520 Da
Melting point
143–144 °C
logP
7.44Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
4316-58-9
SMILES
Brc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
InChIKey
ZRXVCYGHAUGABY-UHFFFAOYSA-N
InChI
InChI=1S/C18H12Br3N/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H

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Names and synonyms

11 names
  • Benzenamine, 4-bromo-N,N-bis(4-bromophenyl)-
  • Triphenylamine, 4,4′,4′′-tribromo-
  • 4-Bromo-N,N-bis(4-bromophenyl)benzenamine
  • Tris(p-bromophenyl)amine
  • p,p′,p′′-Tribromotriphenylamine
  • N,N-Diphenyl-4,4′,4′′-tribromoaniline
  • 4,4′,4′′-Tribromotriphenylamine
  • Tri(p-bromophenyl)amine
  • NSC 86666
  • Tri(4-bromophenyl)amine
  • N,N-Bis(4-bromophenyl)-4-bromoaniline

Work with Tris(4-bromophenyl)amine

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

1,4-Dibromobenzene106-37-660 % similar 4-Bromo-N′,N′-dimethylaniline586-77-657 % similar 1-Bromo-4-chlorobenzene106-39-850 % similar 4-Bromo-N,N-diethylbenzenamine2052-06-450 % similar 4,4′-Dibromobiphenyl92-86-450 % similar 4-Bromophenol106-41-245 % similar 4-Bromobenzyl chloride589-17-343 % similar Tetrakis(4-bromophenyl)methane105309-59-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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