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L-Ornithine, Hydrochloride (1:2)
CAS: 6211-16-1 | C5H14Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6211-16-1
Molecular Formula:
C5H14Cl2N2O2
Molecular Mass:
205.09 g/mol
Names and Synonyms:
L-Ornithine, Hydrochloride (1:2)
L-Ornithine, hydrochloride (1:2)
Ornithine, dihydrochloride, L-
L-Ornithine, dihydrochloride
Ornithine dihydrochloride
(S)-2,5-Diaminopentanoic acid dihydrochloride
Identifiers:
SMILES:
Cl.Cl.NCCC[C@H](N)C(=O)O
InChI:
InChI=1S/C5H12N2O2.2ClH/c6-3-1-2-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9);2*1H/t4-;;/m0../s1
Key Properties
Melting Point
228-232 °C
CAS Common Chemistry
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 | 205.09 g/mol | CAS Common Chemistry |
| 205.085 g/mol | RDKit | |
| 204.043233048 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C(N)CCCN | CAS Common Chemistry |
| InChI | InChI=1S/C5H12N2O2.2ClH/c6-3-1-2-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9);2*1H/t4-;;/m0../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HGBAVEGDXFHRQP-FHNDMYTFSA-N | CAS Common Chemistry |
| Melting Point | 228-232 °C | CAS Common Chemistry |
| Name | L-Ornithine, hydrochloride (1:2) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.34 Ų | RDKit |
| LogP | -0.019200000000000328 | RDKit |
| Molar Refractivity | 48.39560000000001 | RDKit |
