Ethyl 3-ethoxy-3-iminopropanoate hydrochloride

C₇H₁₄ClNO₃CAS 2318-25-4195.64 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation55.3% of notifiers
H319 Causes serious eye irritation56.5% of notifiers
H335 May cause respiratory irritation54.1% of notifiers

Aggregated from 85 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

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

Weigh it out

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

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

3-Amino-3-iminopropanoic acid ethyl ester hydrochloride57508-48-264 % similar Diethyl malonate105-53-359 % similar Ethyl 3-(methylamino)-3-oxopropanoate71510-95-755 % similar Diethyl 1,3-acetonedicarboxylate105-50-053 % similar Glycine ethyl ester hydrochloride623-33-653 % similar Ethyl acetoacetate141-97-950 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-250 % similar Sarcosine ethyl ester hydrochloride52605-49-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl trans-4-hydroxy-L-prolinate hydrochloride33996-30-4

Elsewhere

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