3-Amino-3-iminopropanoic acid ethyl ester hydrochloride

C₅H₁₁ClN₂O₂CAS 57508-48-2166.60 g/mol

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Properties

Molecular formula: C₅H₁₁ClN₂O₂
Molar mass: 166.60 g/mol
Exact mass: 166.0509 Da
logP: 0.30Crippen estimate
Polar surface area: 76.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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