3-Amino-3-iminopropanoic acid ethyl ester hydrochloride

C5H11ClN2O2CAS 57508-48-2166.60 g/mol

Open in Covalent MOL file
OONHNH2HCl
AmidineEster

Properties

Molecular formula
C5H11ClN2O2
Molar mass
166.60 g/mol
Exact mass
166.0509 Da
logP
0.30Crippen estimate
Polar surface area
76.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
57508-48-2
SMILES
CCOC(=O)CC(=N)N.Cl
InChIKey
VOHFLYOSVGWQOS-UHFFFAOYSA-N
InChI
InChI=1S/C5H10N2O2.ClH/c1-2-9-5(8)3-4(6)7;/h2-3H2,1H3,(H3,6,7);1H

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Names and synonyms

1 names
  • Ethyl 2-carbamimidoylacetate hydrochloride

Work with 3-Amino-3-iminopropanoic acid ethyl ester 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

Ethyl 3-ethoxy-3-iminopropanoate hydrochloride2318-25-464 % similar Diethyl malonate105-53-355 % similar Glycine ethyl ester hydrochloride623-33-655 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-251 % similar Diethyl 1,3-acetonedicarboxylate105-50-050 % similar Ethyl hydrazineacetate monohydrochloride6945-92-250 % similar L-Aspartic acid diethyl ester hydrochloride16115-68-749 % similar 4-Aminobutyric acid ethyl ester hydrochloride6937-16-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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