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L-Lysine, Methyl Ester, Hydrochloride (1:2)
CAS: 26348-70-9 | C7H18Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26348-70-9
Molecular Formula:
C7H18Cl2N2O2
Molecular Mass:
233.14 g/mol
Names and Synonyms:
L-Lysine, Methyl Ester, Hydrochloride (1:2)
L-Lysine, methyl ester, hydrochloride (1:2)
Lysine, methyl ester, dihydrochloride, L-
L-Lysine, methyl ester, dihydrochloride
Methyl L-lysinate dihydrochloride
Lysine methyl ester dihydrochloride
NSC 83256
L-Lysine dihydrochloride methyl ester
Identifiers:
SMILES:
COC(=O)[C@@H](N)CCCCN.Cl.Cl
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
Key Properties
Melting Point
211-212 °C @ Solvent: Methanol, Diethyl ether
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.14 g/mol | CAS Common Chemistry |
| 233.139 g/mol | RDKit | |
| 232.074533176 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(OC)C(N)CCCCN | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=SXZCBVCQHOJXDR-ILKKLZGPSA-N | CAS Common Chemistry |
| Melting Point | 211-212 °C @ Solvent: Methanol, Diethyl ether | CAS Common Chemistry |
| Name | L-Lysine, methyl ester, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 78.34 Ų | RDKit |
| LogP | 0.4592999999999992 | RDKit |
| Molar Refractivity | 57.39280000000003 | RDKit |
