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Molecule
Lysine
CAS: 70-54-2 · C6H14N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 70-54-2
- Molecular Formula
- C6H14N2O2
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
70-54-2
SMILES
NCCCCC(N)C(=O)O
InChI Key
KDXKERNSBIXSRK-UHFFFAOYSA-N
InChI
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
Names and Synonyms
- Lysine Common Name
- Lysine Synonym
- Lysine, DL- Synonym
- DL-Lysine Synonym
- DL-α,ε-Diaminocaproic acid Synonym
- 2,6-Diaminohexanoic acid Synonym
- (±)-Lysine Synonym
- (RS)-Lysine Synonym
- (±)-2,6-Diaminohexanoic acid Synonym
- AminoShure-L Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lysine | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(N)CCCCN | CAS Common Chemistry |
| InChI | InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=KDXKERNSBIXSRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 224 °C | CAS Common Chemistry |
| Name | (±)-Lysine | CAS Common Chemistry |
| Lysine | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | -0.4726999999999995 | RDKit |
| -0.4727 | RDKit | |
| Molar Refractivity | 38.5166 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 146.105527688 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 = 146.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2O2.
