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Molecule
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
Identifiers
CAS Registry Number
52315-75-0
SMILES
CCCCCCCCCCCC(O)=NCCCC[C@H](N)C(=O)O
InChI Key
GYDYJUYZBRGMCC-INIZCTEOSA-N
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
Names and Synonyms
- N-Lauroyl-L-Lysine Common Name
- L-Lysine, N6-(1-oxododecyl)- Synonym
- Lysine, N6-lauroyl-, L- Synonym
- N6-(1-Oxododecyl)-L-lysine Synonym
- N6-Lauroyl-L-lysine Synonym
- Nε-Lauroyllysine Synonym
- Amihope LL Synonym
- Nε-Lauroyl-L-lysine Synonym
- N-Lauroyl-L-lysine Synonym
- Famex L 12 Synonym
- Nε-Lauryl-L-lysine Synonym
- Nε-Lauroyllysine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 328.50 g/mol | CAS Common Chemistry |
| 328.497 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 |
| 95.91 Ų | RDKit | |
| LogP | 4.4460000000000015 | RDKit |
| 4.446 | RDKit | |
| Molar Refractivity | 96.23700000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8889 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 328.2725930119999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 328.50 g/mol. Edit any field — others recompute live.
