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Molecule
L-Lysine, Dihydrochloride
CAS: 657-26-1 · C6H16Cl2N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 657-26-1
- Molecular Formula
- C6H16Cl2N2O2
- Molecular Mass
- 219.11 g/mol
Identifiers
CAS Registry Number
657-26-1
SMILES
Cl.Cl.NCCCC[C@H](N)C(=O)O
InChI Key
JBBURJFZIMRPCZ-XRIGFGBMSA-N
InChI
InChI=1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H/t5-;;/m0../s1
Names and Synonyms
- L-Lysine, Dihydrochloride Synonym
- L-Lysine, hydrochloride (1:2) Synonym
- Lysine, dihydrochloride, L- Synonym
- L-Lysine, dihydrochloride Synonym
- Lysine dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.11 g/mol | CAS Common Chemistry |
| 219.112 g/mol | RDKit | |
| 219.106 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O2.2ClH/c7-4-2-1-3-5(8)6(9)10;;/h5H,1-4,7-8H2,(H,9,10);2*1H/t5-;;/m0../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=JBBURJFZIMRPCZ-XRIGFGBMSA-N | CAS Common Chemistry |
| Melting Point | 183-185 °C | CAS Common Chemistry |
| Name | L-Lysine, dihydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 0.37090000000000006 | RDKit |
| 0.3709 | RDKit | |
| Molar Refractivity | 53.01260000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 218.058883112 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 219.11 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H16Cl2N2O2.
