chempirical

Ethyl acetimidate hydrochloride

C4H10ClNOCAS 2208-07-3123.58 g/mol

Open in Covalent MOL file
ONHHCl

Properties

Molecular formula
C4H10ClNO
Molar mass
123.58 g/mol
Exact mass
123.0451 Da
Melting point
110–115 °C
logP
1.44Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2208-07-3
SMILES
CCOC(C)=N.Cl
InChIKey
WGMHMVLZFAJNOT-UHFFFAOYSA-N
InChI
InChI=1S/C4H9NO.ClH/c1-3-6-4(2)5;/h5H,3H2,1-2H3;1H

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Names and synonyms

9 names
  • Ethanimidic acid, ethyl ester, hydrochloride (1:1)
  • Acetimidic acid, ethyl ester, hydrochloride
  • Ethanimidic acid, ethyl ester, hydrochloride
  • Ethyl iminoacetate hydrochloride
  • Ethyl acetocarboximidate hydrochloride
  • Ethyl ethanimidate hydrochloride
  • Ethyl acetoimidate hydrochloride
  • Ethyl acetoamidate hydrochloride
  • Ethyl ethanimidoate hydrochloride

Work with Ethyl acetimidate 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

Methyl acetimidate hydrochloride14777-27-648 % similar Ethyl 3-ethoxy-3-iminopropanoate hydrochloride2318-25-444 % similar Ethyl benzimidate hydrochloride5333-86-842 % similar Ethyl carbamate51-79-641 % similar Glycine ethyl ester hydrochloride623-33-639 % similar Ethyl acetate141-78-637 % similar 2-Ethoxy-1-propene926-66-937 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-236 % similar

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

Same formula

Morpholinium chloride10024-89-2 3-Aminocyclobutanol hydrochloride1036260-25-9 (R)-(-)-3-Pyrrolidinol hydrochloride104706-47-0 (R)-Tetrahydrofuran-3-amine hydrochloride1072015-52-1 (S)-3-Hydroxypyrrolidine hydrochloride122536-94-1 (S)-Tetrahydrofuran-3-ylamine hydrochloride204512-95-8

Elsewhere

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