2-Ethylhexyl P-aminobenzoate

C₁₅H₂₃NO₂CAS 26218-04-2249.35 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₁₅H₂₃NO₂
Molar mass: 249.35 g/mol
Exact mass: 249.1729 Da
logP: 3.64Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Identifiers

CAS number

26218-04-2

SMILES

CCCCC(CC)COC(=O)c1ccc(N)cc1

InChIKey

ZJQXUTDROPGVLH-UHFFFAOYSA-N

InChI

InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 4-amino-, 2-ethylhexyl ester
Benzoic acid, p-amino-, 2-ethylhexyl ester
2-Ethylhexyl 4-aminobenzoate
p-Aminobenzoic acid 2-ethylhexyl ester

Work with 2-Ethylhexyl P-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

Bis(2-ethylhexyl) terephthalate6422-86-284 % similar 2-Ethylhexyl 4-hydroxybenzoate5153-25-373 % similar Padimate O21245-02-370 % similar Trioctyl trimellitate3319-31-167 % similar Ethylhexyl triazone88122-99-065 % similar Butyl 4-aminobenzoate94-25-764 % similar Bis(2-ethylhexyl) phthalate117-81-764 % similar Risocaine94-12-260 % similar

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

Same formula

Alprenolol13655-52-2 1-[2-Amino-1-(4-methoxyphenyl)ethyl]cyclohexanol93413-77-5

Elsewhere

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