chempirical

Dimethyl 3-aminoterephthalate

C10H11NO4CAS 5372-81-6209.20 g/mol

Open in Covalent MOL file
OOOONH2
EsterPrimary amine

Properties

Molecular formula
C10H11NO4
Molar mass
209.20 g/mol
Exact mass
209.0688 Da
Melting point
279–280 °C
logP
0.84Crippen estimate
Polar surface area
78.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
5372-81-6
SMILES
COC(=O)c1ccc(C(=O)OC)c(N)c1
InChIKey
DSSKDXUDARIMTR-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,11H2,1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 1,4-Benzenedicarboxylic acid, 2-amino-, 1,4-dimethyl ester
  • Terephthalic acid, amino-, dimethyl ester
  • 1,4-Benzenedicarboxylic acid, 2-amino-, dimethyl ester
  • Dimethyl 2-aminoterephthalate
  • 2-Aminoterephthalic acid dimethyl ester
  • Dimethyl aminoterephthalate
  • Dimethyl 2-aminobenzene-1,4-dicarboxylate
  • Dimethyl o-aminoterephthalate
  • NSC 20561
  • Dimethyl 2-aminobenzene-1,4-dioate
  • Methyl 2-amino-4-carbomethoxybenzoate
  • 1,4-Dimethyl 2-aminobenzene-1,4-dicarboxylate

Work with Dimethyl 3-aminoterephthalate

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

Trimethyl trimellitate2459-10-171 % similar Methyl 3-amino-4-methylbenzoate18595-18-171 % similar Methyl 3-amino-4-methoxybenzoate24812-90-671 % similar 3-Amino-4-fluorobenzoic acid methyl ester369-26-669 % similar Orthocaine536-25-469 % similar Methyl 2-amino-4-bromobenzoate135484-83-266 % similar Methyl 4-amino-3-methylbenzoate18595-14-766 % similar Methyl 4-amino-3-methoxybenzoate41608-64-466 % similar

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

Same formula

2,3-Dimethyl 5-methyl-2,3-pyridinedicarboxylate112110-16-4 N-Phenyliminodiacetic acid1137-73-1 Benzyloxycarbonylglycine1138-80-3 2-(4-Formyl-2-methoxyphenoxy)acetamide186685-89-2 Methyl 4-acetamido-2-hydroxybenzoate4093-28-1 (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-5 Ethyl p-nitrophenylacetate5445-26-1 4-Nitrobenzenebutanoic acid5600-62-4

Elsewhere

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