chempirical

4-Bromodiphenylamine

C12H10BrNCAS 54446-36-5248.12 g/mol

Open in Covalent MOL file
NHBr
Aryl halideSecondary amine

Properties

Molecular formula
C12H10BrN
Molar mass
248.12 g/mol
Exact mass
246.9997 Da
logP
4.19Crippen estimate
Polar surface area
12.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54446-36-5
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)Br
InChIKey
CCIVUDMVXNBUCY-UHFFFAOYSA-N
InChI
InChI=1S/C12H10BrN/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H

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Work with 4-Bromodiphenylamine

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

Bis(4-bromophenyl)amine16292-17-479 % similar N-(4-Bromophenyl)-[1,1'-biphenyl]-4-amine1160294-93-878 % similar N,N′-Diphenyl-p-phenylenediamine74-31-768 % similar Diphenylamine122-39-463 % similar N,N′-Diphenylbenzidine531-91-959 % similar 4-Hydroxydiphenylamine122-37-258 % similar N-Phenyl-4-biphenylamine32228-99-257 % similar N-Phenyl-[1,1':4',1''-terphenyl]-4-amine897671-81-757 % similar

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

Same formula

3-Bromo-biphenyl-4-ylamine41738-70-9 2-Bromo-N-phenylaniline61613-22-7

Elsewhere

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