4-Aminophenyl 4-aminobenzoate

C₁₃H₁₂N₂O₂CAS 20610-77-9228.25 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₃H₁₂N₂O₂
Molar mass: 228.25 g/mol
Exact mass: 228.0899 Da
logP: 2.07Crippen estimate
Polar surface area: 78.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

20610-77-9

SMILES

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

InChIKey

LOCTYHIHNCOYJZ-UHFFFAOYSA-N

InChI

InChI=1S/C13H12N2O2/c14-10-3-1-9(2-4-10)13(16)17-12-7-5-11(15)6-8-12/h1-8H,14-15H2

Weigh it out

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

Names and synonyms

1 names

4-Aminobenzoic acid 4-aminophenyl ester

Work with 4-Aminophenyl 4-aminobenzoate

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-Benzenedicarboxylic acid bis(4-aminophenyl) ester16926-73-1100 % similar [4-(4-Aminobenzoyl)oxyphenyl] 4-aminobenzoate22095-98-3100 % similar 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 p-Aminophenyl acetate13871-68-655 % similar Propan-2-yl 4-aminobenzoate18144-43-955 % similar

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

Same formula

Ozagrel82571-53-7

Elsewhere

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