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L-Lysine, N6-Methyl-, Hydrochloride (1:1)
CAS: 7622-29-9 | C7H17ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7622-29-9
Molecular Formula:
C7H17ClN2O2
Molecular Mass:
196.68 g/mol
Names and Synonyms:
L-Lysine, N6-Methyl-, Hydrochloride (1:1)
L-Lysine, N6-methyl-, hydrochloride (1:1)
Lysine, N6-methyl-, monohydrochloride, L-
L-Lysine, N6-methyl-, monohydrochloride
Lysine, N6-methyl-, hydrochloride
Identifiers:
SMILES:
CNCCCC[C@H](N)C(=O)O.Cl
InChI:
InChI=1S/C7H16N2O2.ClH/c1-9-5-3-2-4-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1
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 | 196.68 g/mol | CAS Common Chemistry |
| 196.67800000000003 g/mol | RDKit | |
| 196.097855464 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCCNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N2O2.ClH/c1-9-5-3-2-4-6(8)7(10)11;/h6,9H,2-5,8H2,1H3,(H,10,11);1H/t6-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AQELUQTVJOFFBN-RGMNGODLSA-N | CAS Common Chemistry |
| Name | L-Lysine, N6-methyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 75.35 Ų | RDKit |
| LogP | 0.20979999999999988 | RDKit |
| Molar Refractivity | 50.636900000000026 | RDKit |
