Back to Search
Molecule
L-Arginine, Methyl Ester, Hydrochloride (1:2)
CAS: 26340-89-6 · C7H18Cl2N4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 26340-89-6
- Molecular Formula
- C7H18Cl2N4O2
- Molecular Mass
- 261.15 g/mol
Identifiers
CAS Registry Number
26340-89-6
SMILES
COC(=O)[C@@H](N)CCCNC(=N)N.Cl.Cl
InChI Key
XQYZOBNLCUAXLF-XRIGFGBMSA-N
InChI
InChI=1S/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H/t5-;;/m0../s1
Names and Synonyms
- L-Arginine, Methyl Ester, Hydrochloride (1:2) Synonym
- L-Arginine, methyl ester, hydrochloride (1:2) Synonym
- Arginine, methyl ester, dihydrochloride, L- Synonym
- L-Arginine, methyl ester, dihydrochloride Synonym
- Arginine methyl ester dihydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 261.15 g/mol | CAS Common Chemistry |
| 261.153 g/mol | RDKit | |
| 261.147 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(OC)C(N)CCCNC(=N)N | CAS Common Chemistry |
| InChI | InChI=1S/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H/t5-;;/m0../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XQYZOBNLCUAXLF-XRIGFGBMSA-N | CAS Common Chemistry |
| Melting Point | 192-194 °C @ Solvent: Methanol, Diethyl ether | CAS Common Chemistry |
| Name | L-Arginine, methyl ester, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 114.21999999999998 Ų | RDKit |
| 114.22 Ų | RDKit | |
| LogP | -0.4064299999999998 | RDKit |
| -0.4064 | RDKit | |
| Molar Refractivity | 63.63820000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 260.080681176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 261.15 g/mol. Edit any field — others recompute live.
