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Lysine, Hydrochloride (1:1)
CAS: 70-53-1 | C6H15ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70-53-1
Molecular Formula:
C6H15ClN2O2
Molecular Mass:
182.65 g/mol
Names and Synonyms:
Lysine, Hydrochloride (1:1)
Lysine, hydrochloride (1:1)
Lysine, monohydrochloride, DL-
DL-Lysine, monohydrochloride
Lysine, monohydrochloride
DL-Lysine hydrochloride
NSC 46705
2,6-Diaminohexanoic acid hydrochloride
Identifiers:
SMILES:
Cl.NCCCCC(N)C(=O)O
InChI:
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
Key Properties
Melting Point
235-236 °C
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 | 182.65 g/mol | CAS Common Chemistry |
| 182.65099999999998 g/mol | RDKit | |
| 182.0822054 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H | CAS Common Chemistry |
| InChI Key | InChIKey=BVHLGVCQOALMSV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235-236 °C | CAS Common Chemistry |
| Name | Lysine, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.34 Ų | RDKit |
| LogP | -0.05090000000000017 | RDKit |
| Molar Refractivity | 45.764600000000016 | RDKit |
