chempirical

2,4,6-Tris(4-aminophenyl)-1,3,5-triazine

C21H18N6CAS 14544-47-9354.42 g/mol

Open in Covalent MOL file
NNNNH2H2NNH2
Primary amine

Properties

Molecular formula
C21H18N6
Molar mass
354.42 g/mol
Exact mass
354.1593 Da
logP
3.62Crippen estimate
Polar surface area
116.7 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
3

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
14544-47-9
SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChIKey
WHSQATVVMVBGNS-UHFFFAOYSA-N
InChI
InChI=1S/C21H18N6/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H,22-24H2

Weigh it out

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Work with 2,4,6-Tris(4-aminophenyl)-1,3,5-triazine

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''-Diaminoterphenyl3365-85-361 % similar Benzidine92-87-561 % similar 4,4',4''-(Pyridine-2,4,6-triyl)trianiline83266-97-158 % similar P-Phenylenediamine106-50-353 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-752 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-152 % similar 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-850 % similar 4-Amino-P-terphenyl7293-45-050 % similar

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

Elsewhere

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