chempirical

Lysine ethyl ester dihydrochloride

C8H20Cl2N2O2CAS 3844-53-9247.16 g/mol

Open in Covalent MOL file
OONH2NH2HClHCl
EsterPrimary amine

Properties

Molecular formula
C8H20Cl2N2O2
Molar mass
247.16 g/mol
Exact mass
246.0902 Da
logP
0.85Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
3844-53-9
SMILES
CCOC(=O)[C@@H](N)CCCCN.Cl.Cl
InChIKey
DZIYAIZKJOHVQC-KLXURFKVSA-N
InChI
InChI=1S/C8H18N2O2.2ClH/c1-2-12-8(11)7(10)5-3-4-6-9;;/h7H,2-6,9-10H2,1H3;2*1H/t7-;;/m0../s1

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

Names and synonyms

4 names
  • L-Lysine, ethyl ester, hydrochloride (1:2)
  • Lysine, ethyl ester, dihydrochloride, L-
  • L-Lysine, ethyl ester, dihydrochloride
  • NSC 162742

Work with Lysine ethyl ester dihydrochloride

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

(S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-291 % similar Methyl L-lysinate dihydrochloride26348-70-968 % similar L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-268 % similar Diethyl L-glutamate hydrochloride1118-89-463 % similar L-Methionine O-ethyl ester hydrochloride2899-36-763 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-862 % similar L-Seryl ethyl ester hydrochloride26348-61-859 % similar Ethyl cysteinate hydrochloride868-59-759 % similar

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

Same formula

1-[2(2-Hydroxyethoxy)ethyl]piperazine dihydrochloride85293-16-9

Elsewhere

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