Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate

C18H20N2O2CAS 65816-20-8296.37 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C18H20N2O2
Molar mass
296.37 g/mol
Exact mass
296.1525 Da
Boiling point
225 °C (at 1 Torr)
logP
4.05Crippen estimate
Polar surface area
41.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

Identifiers

CAS number
65816-20-8
SMILES
CCOC(=O)c1ccc(N=CN(CC)c2ccccc2)cc1
InChIKey
LTGPEBRDBMFYBR-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O2/c1-3-20(17-8-6-5-7-9-17)14-19-16-12-10-15(11-13-16)18(21)22-4-2/h5-14H,3-4H2,1-2H3

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Names and synonyms

5 names
  • Benzoic acid, 4-(((ethylphenylamino)methylene)amino)-, ethyl ester
  • Benzoic acid, 4-[[(ethylphenylamino)methylene]amino]-, ethyl ester
  • Givsorb UV 2
  • N-(p-Ethoxycarbonylphenyl)-N′-ethyl-N′-phenylformamidine
  • N′-(4-Ethoxycarbonylphenyl)-N-ethyl-N-phenylformamidine

Work with Ethyl 4-[[(ethylphenylamino)methylene]amino]benzoate

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

N,N'-Bis(4-ethoxycarbonylphenyl)-N-benzylformamidine586400-06-876 % similar N′-(4-Ethoxycarbonylphenyl)-N-methyl-N-phenylformamidine57834-33-073 % similar Ethyl benzoate93-89-053 % similar Ethyl 4-(diethylamino)benzoate10287-54-453 % similar Diethyl terephthalate636-09-950 % similar Ethyl 4-(dimethylamino)benzoate10287-53-348 % similar Ethyl 4-isothiocyanatobenzoate1205-06-747 % similar Ethyl 4-chlorobenzoate7335-27-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Biphenyl-2-ylcarbamic Acid Piperidin-4-yl Ester171722-92-2

Elsewhere

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