Ethyl L-lysinate dihydrochloride

C₈H₂₀Cl₂N₂O₂CAS 3844-53-9247.16 g/mol

Open in Covalent MOL file

Ester Primary 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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

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

Weigh it out

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Names and synonyms

5 names

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

Work with Ethyl L-lysinate 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 D-Lysine methyl ester dihydrochloride67396-08-168 % 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 H-D-Met-oet hcl7512-43-863 % similar Methyl L-ornithine dihydrochloride40216-82-862 % 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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