4-Bromo-4',4''-dimethyltriphenylamine

C₂₀H₁₈BrNCAS 58047-42-0352.28 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₂₀H₁₈BrN
Molar mass: 352.28 g/mol
Exact mass: 351.0623 Da
logP: 6.54Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed95.1% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.1% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

58047-42-0

SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)Br

InChIKey

YMNJJMJHTXGFOR-UHFFFAOYSA-N

InChI

InChI=1S/C20H18BrN/c1-15-3-9-18(10-4-15)22(19-11-5-16(2)6-12-19)20-13-7-17(21)8-14-20/h3-14H,1-2H3

Weigh it out

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

Work with 4-Bromo-4',4''-dimethyltriphenylamine

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-Bromotoluene106-38-771 % similar Tri-p-tolylamine1159-53-171 % similar Tris(4-bromophenyl)amine4316-58-971 % similar 4-Bromo-4'-methylbiphenyl50670-49-063 % similar N,N,N′,N′-Tetra(4-methylphenyl)-1,1′-biphenyl-4,4′-diamine76185-65-463 % similar 4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine20440-95-360 % similar 4-Bromotriphenylamine36809-26-460 % similar 4-Methyltriphenylamine4316-53-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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