chempirical

Ethyl 4-(butylamino)benzoate

C13H19NO2CAS 94-32-6221.30 g/mol

Open in Covalent MOL file
HNOO
EsterSecondary amine

Properties

Molecular formula
C13H19NO2
Molar mass
221.30 g/mol
Exact mass
221.1416 Da
Melting point
68 °C
logP
3.08Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

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
94-32-6
SMILES
CCCCNc1ccc(C(=O)OCC)cc1
InChIKey
GTXRSQYDLPYYNW-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3

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Names and synonyms

3 names
  • Benzoic acid, 4-(butylamino)-, ethyl ester
  • Benzoic acid, p-(butylamino)-, ethyl ester
  • Ethyl p-butylaminobenzoate

Work with Ethyl 4-(butylamino)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

Benzonatate104-31-470 % similar Amethocaine94-24-668 % similar Tetracaine hydrochloride136-47-064 % similar Diethyl terephthalate636-09-962 % similar Diethyl 4,4'-biphenyldicarboxylate47230-38-657 % similar Ethyl 4-methylbenzoate94-08-654 % similar Ethyl benzoate93-89-053 % similar Ethylparaben120-47-853 % similar

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

Same formula

Ethyl 4-(diethylamino)benzoate10287-54-4 3-(Dimethylamino)-1-(3-methoxyphenyl)-2-methyl-1-propanone197145-37-2 D-4-tert-Butyl-phe274262-82-7 Hexahydro-1-methyl-3-(3-oxo-1-cyclohexen-1-yl)-2H-azepin-2-one71556-70-2 p-tert-Butylphenylalanine82372-74-5

Elsewhere

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