Tris(4-formylphenyl)amine

C₂₁H₁₅NO₃CAS 119001-43-3329.36 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₂₁H₁₅NO₃
Molar mass: 329.36 g/mol
Exact mass: 329.1052 Da
logP: 4.59Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 6

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

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

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number

119001-43-3

SMILES

C1=CC(=CC=C1C=O)N(C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O

InChIKey

YOXHQRNDWBRUOL-UHFFFAOYSA-N

InChI

InChI=1S/C21H15NO3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-15H

Weigh it out

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Work with Tris(4-formylphenyl)amine

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-(N,N-Diphenylamino)benzaldehyde4181-05-982 % similar 4,4'-(Phenylimino)bisbenzaldehyde53566-95-382 % similar 4-(Bis(p-tolyl)amino)benzaldehyde42906-19-475 % similar 1,4-Benzenedicarboxaldehyde623-27-867 % similar 4-(Bis(4-methoxyphenyl)amino)benzaldehyde89115-20-867 % similar para-Dimethylaminobenzaldehyde100-10-763 % similar 4-(1-Pyrrolidinyl)benzaldehyde51980-54-258 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Solvent violet 1381-48-1

Elsewhere

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