Methyl 2-amino-3,4,5-trimethoxybenzoate

C₁₁H₁₅NO₅CAS 5035-82-5241.24 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₁₁H₁₅NO₅
Molar mass: 241.24 g/mol
Exact mass: 241.0950 Da
logP: 1.08Crippen estimate
Polar surface area: 80.0 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5035-82-5

SMILES

COC(=O)c1cc(OC)c(OC)c(OC)c1N

InChIKey

UPVUQELOASQBMY-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO5/c1-14-7-5-6(11(13)17-4)8(12)10(16-3)9(7)15-2/h5H,12H2,1-4H3

Weigh it out

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

Names and synonyms

6 names

Benzoic acid, 2-amino-3,4,5-trimethoxy-, methyl ester
Anthranilic acid, 3,4,5-trimethoxy-, methyl ester
Methyl 3,4,5-trimethoxyanthranilate
NSC 80816
Ethyl 2-amino-3,4,5-trimethoxybenzoate
PPC 17D

Work with Methyl 2-amino-3,4,5-trimethoxybenzoate

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

2-Amino-3,4,5-trimethoxybenzoic acid61948-85-464 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-664 % similar Methyl 2-amino-3-methoxybenzoate5121-34-659 % similar Methyl 3,4,5-trimethoxybenzoate1916-07-057 % similar Bifendate73536-69-355 % similar Methyl 4-amino-2-methoxybenzoate27492-84-854 % similar 2,3-Diaminobenzoic acid methyl ester107582-20-750 % similar Methyl 2-amino-3,5-dibromobenzoate606-00-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methocarbamol532-03-6

Elsewhere

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