Ethyl 4-pyridineacetate

C9H11NO2CAS 54401-85-3165.19 g/mol

Open in Covalent MOL file
OON
Ester

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
Melting point
18–19 °C
Boiling point
107–108 °C (at 3 Torr)
logP
1.19Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
54401-85-3
SMILES
CCOC(=O)Cc1ccncc1
InChIKey
QVLJLWHOILVHJJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3

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

Names and synonyms

10 names
  • 4-Pyridineacetic acid, ethyl ester
  • Ethyl 4-pyridylacetate
  • Ethyl 4-pyridinylacetate
  • 2-(Pyridin-4-yl)ethanoic acid ethyl ester
  • Ethyl 2-(4-pyridinyl)acetate
  • 2-(4-Pyridyl)acetic acid ethyl ester
  • Ethyl 2-(4-pyridyl)acetate
  • (Pyridin-4-yl)acetic acid ethyl ester
  • (4-Pyridyl)acetic acid ethyl ester
  • Ethyl pyridine-4-acetate

Work with Ethyl 4-pyridineacetate

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 phenylacetate101-97-369 % similar Ethyl 3-pyridineacetate39931-77-667 % similar Ethyl p-tolylacetate14062-19-265 % similar Methyl 4-pyridineacetate29800-89-364 % similar p-Chlorophenylacetic acid ethyl ester14062-24-963 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-063 % similar Ethyl 4-hydroxyphenylacetate17138-28-263 % similar Ethyl 4-aminophenylacetate5438-70-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 DL-Phenylalanine150-30-1 4-Acetaminobenzyl alcohol16375-88-5

Elsewhere

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