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Lysine
CAS: 70-54-2 | C6H14N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
70-54-2
Molecular Formula:
C6H14N2O2
Molecular Weight:
146.19 g/mol
Names and Synonyms:
Lysine
AminoShure-L
(±)-2,6-Diaminohexanoic acid
(RS)-Lysine
(±)-Lysine
2,6-Diaminohexanoic acid
DL-α,ε-Diaminocaproic acid
DL-Lysine
Lysine, DL-
Lysine
Identifiers:
SMILES:
NCCCCC(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)
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 |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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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
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 |
Physical Properties
Property | Value | Source |
---|---|---|
LogP | -0.4726999999999995 | RDKit |
molecular_mass | 146.19 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/Lysine None | Legacy Database |
cas-canonical-smile | O=C(O)C(N)CCCCN 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) None | Legacy Database |
cas-inchi-key | InChIKey=KDXKERNSBIXSRK-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 224 °C None | Legacy Database |
cas-name | (±)-Lysine None | Legacy Database |
wikipedia-name | Lysine None | Legacy Database |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 38.5166 | RDKit |