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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
Identifiers
CAS Registry Number
70-53-1
SMILES
Cl.NCCCCC(N)C(=O)O
InChI Key
BVHLGVCQOALMSV-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H
Names and Synonyms
- Lysine, Hydrochloride (1:1) Systematic Name
- Lysine, hydrochloride (1:1) Synonym
- Lysine, monohydrochloride, DL- Synonym
- DL-Lysine, monohydrochloride Synonym
- Lysine, monohydrochloride Synonym
- DL-Lysine hydrochloride Synonym
- NSC 46705 Synonym
- 2,6-Diaminohexanoic acid hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.65 g/mol | CAS Common Chemistry |
| 182.65099999999998 g/mol | RDKit | |
| 182.651 g/mol | RDKit | |
| 182.648 g/mol | chempirical lib | |
| 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 |
| -0.0509 | RDKit | |
| Molar Refractivity | 45.764600000000016 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 182.0822054 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
Related
Related molecules
Other compounds with formula C6H15ClN2O2.
