Ethyl 3,4-diaminobenzoate

C9H12N2O2CAS 37466-90-3180.21 g/mol

Open in Covalent MOL file
OONH2NH2
EsterPrimary 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
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

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

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 p-Amino-DL-phenylalanine hydrate2922-41-0 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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