Ethyl 3,4-diaminobenzoate

C₉H₁₂N₂O₂CAS 37466-90-3180.21 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₉H₁₂N₂O₂
Molar mass: 180.21 g/mol
Exact mass: 180.0899 Da
logP: 1.03Crippen estimate
Polar surface area: 78.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

37466-90-3

SMILES

CCOC(=O)C1=CC(=C(C=C1)N)N

InChIKey

NUJBTXFFJUGENN-UHFFFAOYSA-N

InChI

InChI=1S/C9H12N2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2,10-11H2,1H3

Weigh it out

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Work with Ethyl 3,4-diaminobenzoate

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-amino-4-fluorobenzoate455-75-473 % similar Diethyl terephthalate636-09-965 % similar Methyl 3,4-diaminobenzoate36692-49-663 % similar Benzocaine94-09-763 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-362 % similar Ethyl 3-aminobenzoate582-33-261 % similar Ferrostatin-1347174-05-460 % similar Ethyl protocatechuate3943-89-359 % similar

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

Same formula

2-Ethoxybenzhydrazide21018-13-3 3-Ethoxybenzhydrazide27830-16-6 4-Amino-DL-phenylalanine2922-41-0 1-(2-Furoyl)piperazine40172-95-0 4-Amino-N-(2-hydroxyethyl)benzamide54472-45-6 2-(4-Methoxyphenyl)acetohydrazide57676-49-0 4-Ethoxybenzhydrazide58586-81-5 N-(3-Amino-4-methoxyphenyl)acetamide6375-47-9

Elsewhere

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