chempirical

2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride

C15H24ClNO6CAS 183322-17-0349.81 g/mol

Open in Covalent MOL file
OOOOOOH2NHCl
EsterEtherPrimary amine

Properties

Molecular formula
C15H24ClNO6
Molar mass
349.81 g/mol
Exact mass
349.1292 Da
logP
1.92Crippen estimate
Polar surface area
89.2 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
10

Identifiers

CAS number
183322-17-0
SMILES
CCOC(=O)c1cc(OCCOC)c(OCCOC)cc1N.Cl
InChIKey
CVAXGYHQKOQSDV-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO6.ClH/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3;/h9-10H,4-8,16H2,1-3H3;1H

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Names and synonyms

2 names
  • Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, hydrochloride (1:1)
  • Benzoic acid, 2-amino-4,5-bis(2-methoxyethoxy)-, ethyl ester, hydrochloride

Work with 2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester 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 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate179688-26-760 % similar Ethyl 3,4-bis(2-methoxyethoxy)benzoate183322-16-958 % similar Ethyl 2-amino-5-iodobenzoate268568-11-248 % similar Ethyl 2-aminobenzoate87-25-247 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-646 % similar 2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride93983-01-845 % similar Ethyl 2-ethoxybenzoate6290-24-044 % similar Benzocaine hydrochloride23239-88-543 % similar

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

Elsewhere

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