chempirical

Ethyl 3-ethoxy-3-iminopropanoate hydrochloride

C7H14ClNO3CAS 2318-25-4195.64 g/mol

Open in Covalent MOL file
ONHOOHCl
Ester

Properties

Molecular formula
C7H14ClNO3
Molar mass
195.64 g/mol
Exact mass
195.0662 Da
Melting point
111–113 °C (decomposes)
logP
1.38Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
2318-25-4
SMILES
CCOC(=N)CC(=O)OCC.Cl
InChIKey
HYMXUYQKXCHWDC-UHFFFAOYSA-N
InChI
InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H

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Names and synonyms

13 names · show all
  • Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride (1:1)
  • Acetic acid, (1-ethoxyformimidoyl)-, ethyl ester, hydrochloride
  • Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride
  • Ethyl carbethoxyacetimidate hydrochloride
  • Ethyl β-ethoxy-β-iminopropionate hydrochloride
  • Ethyl 3-ethoxy-3-iminopropionate hydrochloride
  • Ethyl (ethoxycarbonyl)acetimidate hydrochloride
  • Ethyl 2-(ethoxycarbonyl)acetimidate hydrochloride
  • β-Ethoxy-β-iminopropionic acid ethyl ester hydrochloride
  • 3-Ethoxy-3-iminopropanoic acid ethyl ester hydrochloride
  • 2-(Ethoxycarbonyl)acetimidic acid ethyl ester hydrochloride
  • 3-Ethoxy-3-oxo-1-ethoxypropan-1-imine hydrochloride
  • 3-Ethoxy-3-iminopropionic acid ethyl ester hydrochloride

Work with Ethyl 3-ethoxy-3-iminopropanoate hydrochloride

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

Diethyl malonate105-53-359 % similar Diethyl 1,3-acetonedicarboxylate105-50-053 % similar Glycine ethyl ester hydrochloride623-33-653 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-250 % similar Sarcosine ethyl ester hydrochloride52605-49-950 % similar Ethyl hydrazineacetate monohydrochloride6945-92-249 % similar Monoethyl malonate1071-46-148 % similar Ethyl 3-chloro-3-oxopropanoate36239-09-548 % similar

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

Same formula

Hydroxyproline ethyl ester hydrochloride33996-30-4

Elsewhere

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