chempirical

Methyl L-lysinate dihydrochloride

C7H18Cl2N2O2CAS 26348-70-9233.13 g/mol

Open in Covalent MOL file
OONH2NH2HClHCl
EsterPrimary amine

Properties

Molecular formula
C7H18Cl2N2O2
Molar mass
233.13 g/mol
Exact mass
232.0745 Da
Melting point
211–212 °C
logP
0.46Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
26348-70-9
SMILES
COC(=O)[C@@H](N)CCCCN.Cl.Cl
InChIKey
SXZCBVCQHOJXDR-ILKKLZGPSA-N
InChI
InChI=1S/C7H16N2O2.2ClH/c1-11-7(10)6(9)4-2-3-5-8;;/h6H,2-5,8-9H2,1H3;2*1H/t6-;;/m0../s1

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

Names and synonyms

6 names
  • L-Lysine, methyl ester, hydrochloride (1:2)
  • Lysine, methyl ester, dihydrochloride, L-
  • L-Lysine, methyl ester, dihydrochloride
  • Lysine methyl ester dihydrochloride
  • NSC 83256
  • L-Lysine dihydrochloride methyl ester

Work with Methyl 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)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-891 % similar Lysine ethyl ester dihydrochloride3844-53-968 % similar Dimethyl L-glutamate hydrochloride23150-65-461 % similar Methionine methyl ester hydrochloride2491-18-161 % similar Dimethyl D-glutamate hydrochloride27025-25-861 % similar Arginine methyl ester dihydrochloride26340-89-657 % similar 3-Chloro-D-alanine methyl ester,hydrochloride112346-82-457 % similar Methyl cysteinate hydrochloride18598-63-557 % similar

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

Same formula

(S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-2

Elsewhere

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