1-Methyl 5-amino-1,3-benzenedicarboxylate

C₉H₉NO₄CAS 28179-47-7195.17 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Primary amine

Properties

Molecular formula: C₉H₉NO₄
Molar mass: 195.17 g/mol
Exact mass: 195.0532 Da
logP: 0.75Crippen estimate
Polar surface area: 89.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Identifiers

CAS number

28179-47-7

SMILES

COC(=O)c1cc(N)cc(C(=O)O)c1

InChIKey

QGGKQIDRZUUHAR-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,10H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

7 names

1,3-Benzenedicarboxylic acid, 5-amino-, 1-methyl ester
Isophthalic acid, 5-amino-, monomethyl ester
1,3-Benzenedicarboxylic acid, 5-amino-, monomethyl ester
3-Amino-5-methoxycarbonylbenzoic acid
3-Carbomethoxy-5-aminobenzoic acid
5-Aminobenzene-1,3-dicarboxylic acid monomethyl ester
Monomethyl 5-aminoisophthalate

Work with 1-Methyl 5-amino-1,3-benzenedicarboxylate

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

Same formula

5-Ethyl-2,3-pyridinedicarboxylic acid102268-15-5 4-Ethyl-3-nitrobenzoic acid103440-95-5 2-Hydroxyhippuric acid16555-77-4 3-(4-Nitrophenyl)propionic acid16642-79-8 2-(4-Nitrophenyl)propionic acid19910-33-9 2-Methyl-3-nitrobenzeneacetic acid23876-15-5 Methyl 3-methyl-4-nitrobenzoate24078-21-5 Salicylamide O-acetic acid25395-22-6

Elsewhere

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