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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 Weight:
146.19 g/mol
Names and Synonyms:
L-Lysine
L-Lysine
Lysine, L-
Hexanoic acid, 2,6-diamino-, (S)-
Lysine acid
Lysine
2,6-Diaminohexanoic acid
(S)-α,ε-Diaminocaproic acid
L-(+)-Lysine
Aminutrin
(S)-2,6-Diaminohexanoic acid
α-Lysine
(S)-Lysine
(+)-S-Lysine
L-Norleucine, 6-amino-
L-2,6-Diaminocaproic acid
h-Lys-oh
L-Lys
Malandil
Biolys
LLB 50
38: PN: WO2020027640 SEQID: 101 claimed protein
38: PN: KR20200014684 SEQID: 101 claimed sequence
114: PN: WO2021061872 SEQID: 114 claimed protein
Identifiers:
SMILES:
NCCCC[C@H](N)C(=O)O
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.4726999999999995 | RDKit |
| molecular_mass | 146.19 g/mol | Legacy Database |
| density | 1.45 g/cm³ | Legacy Database |
| cas-canonical-smile | O=C(O)C(N)CCCCN None | Legacy Database |
| cas-density | 1.4516 g/cm3 @ Temp: 45.00 °C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=KDXKERNSBIXSRK-YFKPBYRVSA-N None | Legacy Database |
| cas-melting-point | 5-224 °C (decomp) None | Legacy Database |
| cas-name | L-Lysine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.5166 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 146.19 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 146.105527688 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 5 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 89.34 Ų | RDKit |
