1,4-Benzenedicarboxylic acid bis(4-aminophenyl) ester

C₂₀H₁₆N₂O₄CAS 16926-73-1348.36 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₂₀H₁₆N₂O₄
Molar mass: 348.36 g/mol
Exact mass: 348.1110 Da
logP: 3.29Crippen estimate
Polar surface area: 104.6 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 4

Identifiers

CAS number

16926-73-1

SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)N)C(=O)OC3=CC=C(C=C3)N

InChIKey

CFTXGNJIXHFHTH-UHFFFAOYSA-N

InChI

InChI=1S/C20H16N2O4/c21-15-5-9-17(10-6-15)25-19(23)13-1-2-14(4-3-13)20(24)26-18-11-7-16(22)8-12-18/h1-12H,21-22H2

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Names and synonyms

1 names

Bis(4-aminophenyl) Terephthalate

Work with 1,4-Benzenedicarboxylic acid bis(4-aminophenyl) ester

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

1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-461 % similar Methyl 4-aminobenzoate619-45-460 % similar Trimethylene glycol di-P-aminobenzoate57609-64-056 % similar Phenyl benzoate93-99-255 % similar Benzocaine94-09-755 % similar Risocaine94-12-251 % similar Phenyl 4-hydroxybenzoate17696-62-750 % similar p-Chlorophenyl benzoate2005-08-550 % similar

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

Same formula

[4-(4-Aminobenzoyl)oxyphenyl] 4-aminobenzoate22095-98-3 Camptothecin7689-03-4

Elsewhere

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