8-(N,N-Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride

C₂₂H₃₈ClNO₅CAS 53464-72-5432.00 g/mol

Open in Covalent MOL file

Ester Ether Tertiary amine

Properties

Molecular formula: C₂₂H₃₈ClNO₅
Molar mass: 432.00 g/mol
Exact mass: 431.2439 Da
logP: 4.97Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 15

Identifiers

CAS number

53464-72-5

SMILES

CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1.Cl

InChIKey

KFJZVXKPPQIYCG-UHFFFAOYSA-N

InChI

InChI=1S/C22H37NO5.ClH/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4;/h16-17H,6-15H2,1-5H3;1H

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Names and synonyms

4 names

Benzoic acid, 3,4,5-trimethoxy-, 8-(diethylamino)octyl ester, hydrochloride (1:1)
Benzoic acid, 3,4,5-trimethoxy-, 8-(diethylamino)octyl ester, hydrochloride
TMB 8 hydrochloride
3,4,5-Trimethoxybenzoic Acid 8-(Diethylamino)octyl Ester Hydrochloride

Work with 8-(N,N-Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride

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

Ethyl 3,4,5-trimethoxybenzoate6178-44-554 % similar Mebeverine hydrochloride2753-45-951 % similar Oxybuprocaine hydrochloride5987-82-650 % similar Procaine hydrochloride51-05-847 % similar Proparacaine hydrochloride5875-06-947 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-046 % similar (±)-Trimebutine39133-31-842 % similar Procaine59-46-142 % similar

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

Elsewhere

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