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Molecule
L-Lysine
CAS: 56-87-1 · C6H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56-87-1
- Molecular Formula
- C6H14N2O2
- Molecular Mass
- 146.19 g/mol
Identifiers
CAS Registry Number
56-87-1
SMILES
NCCCC[C@H](N)C(=O)O
InChI Key
KDXKERNSBIXSRK-YFKPBYRVSA-N
InChI
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
Names and Synonyms
- L-Lysine Synonym
- L-Lysine Synonym
- Lysine, L- Synonym
- Hexanoic acid, 2,6-diamino-, (S)- Synonym
- Lysine acid Synonym
- Lysine Synonym
- 2,6-Diaminohexanoic acid Synonym
- (S)-α,ε-Diaminocaproic acid Synonym
- L-(+)-Lysine Synonym
- Aminutrin Synonym
- (S)-2,6-Diaminohexanoic acid Synonym
- α-Lysine Synonym
- (S)-Lysine Synonym
- (+)-S-Lysine Synonym
- L-Norleucine, 6-amino- Synonym
- L-2,6-Diaminocaproic acid Synonym
- h-Lys-oh Synonym
- L-Lys Synonym
- Malandil Synonym
- Biolys Synonym
- LLB 50 Synonym
- 38: PN: WO2020027640 SEQID: 101 claimed protein Synonym
- 38: PN: KR20200014684 SEQID: 101 claimed sequence Synonym
- 114: PN: WO2021061872 SEQID: 114 claimed protein Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 146.19 g/mol | CAS Common Chemistry |
| Density | 1.45 g/cm³ | CAS Common Chemistry |
| 1.4516 g/cm3 @ 45.00 °C | 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)/t5-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KDXKERNSBIXSRK-YFKPBYRVSA-N | CAS Common Chemistry |
| Melting Point | 5-224 °C (decomp) | CAS Common Chemistry |
| Name | L-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
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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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Quick conversion
MW = 146.19 g/mol; density = 1.450 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14N2O2.
