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Ethyl-Nα-Lauroyl-L-Arginate Hydrochloride
CAS: 60372-77-2 | C20H41ClN4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
60372-77-2
Molecular Formula:
C20H41ClN4O3
Molecular Mass:
421.03 g/mol
Names and Synonyms:
Ethyl-Nα-Lauroyl-L-Arginate Hydrochloride
L-Arginine, N2-(1-oxododecyl)-, ethyl ester, hydrochloride (1:1)
L-Arginine, N2-(1-oxododecyl)-, ethyl ester, monohydrochloride
Mirenat-N
CytoGuard LA
Ethyl-Nα-lauroyl-L-arginate hydrochloride
Mirenat CF
Aminat G
Nα-Lauroyl-L-arginine-ethyl ester hydrochloride
Identifiers:
SMILES:
CCCCCCCCCCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)OCC.Cl
InChI:
InChI=1S/C20H40N4O3.ClH/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22;/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23);1H/t17-;/m0./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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6
5
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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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 421.03 g/mol | CAS Common Chemistry |
| 421.0260000000001 g/mol | RDKit | |
| 420.286718852 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(NC(C(=O)OCC)CCCNC(=N)N)CCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C20H40N4O3.ClH/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22;/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23);1H/t17-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CUBZMGWLVMQKNE-LMOVPXPDSA-N | CAS Common Chemistry |
| Name | Ethyl-Nα-lauroyl-L-arginate hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 17 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 120.79 Ų | RDKit |
| LogP | 4.480570000000002 | RDKit |
| Molar Refractivity | 118.72760000000005 | RDKit |
