1,3,5-Tri(4-aminophenyl)benzene

C₂₄H₂₁N₃CAS 118727-34-7351.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₄H₂₁N₃
Molar mass: 351.45 g/mol
Exact mass: 351.1735 Da
logP: 5.43Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

118727-34-7

SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N

InChIKey

QHQSCKLPDVSEBJ-UHFFFAOYSA-N

InChI

InChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2

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Names and synonyms

1 names

1,3,5-Tris(4-aminophenyl)benzene

Work with 1,3,5-Tri(4-aminophenyl)benzene

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

4,4''-Diaminoterphenyl3365-85-380 % similar Benzidine92-87-580 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-167 % similar 4,4',4''-(Pyridine-2,4,6-triyl)trianiline83266-97-164 % similar 4-Amino-P-terphenyl7293-45-063 % similar 4-Aminobiphenyl92-67-163 % similar P-Phenylenediamine106-50-360 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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