4,4'-Dibromotriphenylamine

C18H13Br2NCAS 81090-53-1403.12 g/mol

Open in Covalent MOL file
NBrBr
Aryl halideTertiary amine

Properties

Molecular formula
C18H13Br2N
Molar mass
403.12 g/mol
Exact mass
400.9415 Da
logP
6.68Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
81090-53-1
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br
InChIKey
KIGVOJUDEQXKII-UHFFFAOYSA-N
InChI
InChI=1S/C18H13Br2N/c19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18/h1-13H

Weigh it out

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

Work with 4,4'-Dibromotriphenylamine

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-Bromotriphenylamine36809-26-4100 % similar 4-Bromo-4'-(diphenylamino)biphenyl202831-65-086 % similar N-(4-Bromophenyl)-N-phenyl-[1,1'-biphenyl]-4-amine503299-24-983 % similar Tris(4-bromophenyl)amine4316-58-979 % similar N-(4-Bromophenyl)-N,N-bis(1,1'-biphenyl-4-yl)amine499128-71-178 % similar N,N-Di((1,1'-biphenyl)-4-yl)-4'-bromo-(1,1'-biphenyl)-4-amine728039-63-278 % similar 4,4'-Dibromo-4''-phenyltriphenylamine884530-69-278 % similar Triphenylamine603-34-963 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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