Back to Search
N-Lauroyl-L-Lysine
CAS: 52315-75-0 | C18H36N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52315-75-0
Molecular Formula:
C18H36N2O3
Molecular Mass:
328.50 g/mol
Names and Synonyms:
N-Lauroyl-L-Lysine
L-Lysine, N6-(1-oxododecyl)-
Lysine, N6-lauroyl-, L-
N6-(1-Oxododecyl)-L-lysine
N6-Lauroyl-L-lysine
Nε-Lauroyllysine
Amihope LL
Nε-Lauroyl-L-lysine
N-Lauroyl-L-lysine
Famex L 12
Nε-Lauryl-L-lysine
Nε-Lauroyllysine
Identifiers:
SMILES:
CCCCCCCCCCCC(O)=NCCCC[C@H](N)C(=O)O
InChI:
InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)/t16-/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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 328.50 g/mol | CAS Common Chemistry |
| 328.497 g/mol | RDKit | |
| 328.2725930119999 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCCCC(N)C(=O)O)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GYDYJUYZBRGMCC-INIZCTEOSA-N | CAS Common Chemistry |
| Name | N-Lauroyl-L-lysine | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 16 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 95.91000000000001 Ų | RDKit |
| LogP | 4.4460000000000015 | RDKit |
| Molar Refractivity | 96.23700000000007 | RDKit |
